2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine

C95H168N24 — CID 160892348

IUPAC2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine
SMILESCC(C)(C)c1ccc(CN(CCCN)CCCN)cc1.CC(C)(C)c1ccc(CN(CCCN)CCCN=C(N)N)cc1.CC(C)(C)c1ccc(CN(CCCN=C(N)N)CCCN=C(N)N)cc1.CC(C)(C)c1ccc(CN=C(N)N)cc1.CC(C)(C)c1ccc(CNCCCN)cc1.CC(C)(C)c1ccc(CNCCCN=C(N)N)cc1
InChIInChI=1S/C19H35N7.C18H33N5.C17H31N3.C15H26N4.C14H24N2.C12H19N3/c1-19(2,3)16-8-6-15(7-9-16)14-26(12-4-10-24-17(20)21)13-5-11-25-18(22)23;1-18(2,3)16-8-6-15(7-9-16)14-23(12-4-10-19)13-5-11-22-17(20)21;1-17(2,3)16-8-6-15(7-9-16)14-20(12-4-10-18)13-5-11-19;1-15(2,3)13-7-5-12(6-8-13)11-18-9-4-10-19-14(16)17;1-14(2,3)13-7-5-12(6-8-13)11-16-10-4-9-15;1-12(2,3)10-6-4-9(5-7-10)8-15-11(13)14/h6-9H,4-5,10-14H2,1-3H3,(H4,20,21,24)(H4,22,23,25);6-9H,4-5,10-14,19H2,1-3H3,(H4,20,21,22);6-9H,4-5,10-14,18-19H2,1-3H3;5-8,18H,4,9-11H2,1-3H3,(H4,16,17,19);5-8,16H,4,9-11,15H2,1-3H3;4-7H,8H2,1-3H3,(H4,13,14,15)
InChIKeySOLANKBAUIJUHR-UHFFFAOYSA-N
MW1646.56 g/mol
LogP11.31
Rot. Bonds40

About 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine

2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine (PubChem CID 160892348) has the molecular formula C95H168N24 and a molecular weight of 1646.56 g/mol. Its IUPAC name is 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine
PubChem CID160892348
Molecular FormulaC95H168N24
Molecular Weight1646.56 g/mol
Exact Mass1645.39
IUPAC Name2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine
SMILESCC(C)(C)c1ccc(CN(CCCN)CCCN)cc1.CC(C)(C)c1ccc(CN(CCCN)CCCN=C(N)N)cc1.CC(C)(C)c1ccc(CN(CCCN=C(N)N)CCCN=C(N)N)cc1.CC(C)(C)c1ccc(CN=C(N)N)cc1.CC(C)(C)c1ccc(CNCCCN)cc1.CC(C)(C)c1ccc(CNCCCN=C(N)N)cc1
InChIInChI=1S/C19H35N7.C18H33N5.C17H31N3.C15H26N4.C14H24N2.C12H19N3/c1-19(2,3)16-8-6-15(7-9-16)14-26(12-4-10-24-17(20)21)13-5-11-25-18(22)23;1-18(2,3)16-8-6-15(7-9-16)14-23(12-4-10-19)13-5-11-22-17(20)21;1-17(2,3)16-8-6-15(7-9-16)14-20(12-4-10-18)13-5-11-19;1-15(2,3)13-7-5-12(6-8-13)11-18-9-4-10-19-14(16)17;1-14(2,3)13-7-5-12(6-8-13)11-16-10-4-9-15;1-12(2,3)10-6-4-9(5-7-10)8-15-11(13)14/h6-9H,4-5,10-14H2,1-3H3,(H4,20,21,24)(H4,22,23,25);6-9H,4-5,10-14,19H2,1-3H3,(H4,20,21,22);6-9H,4-5,10-14,18-19H2,1-3H3;5-8,18H,4,9-11H2,1-3H3,(H4,16,17,19);5-8,16H,4,9-11,15H2,1-3H3;4-7H,8H2,1-3H3,(H4,13,14,15)
InChIKeySOLANKBAUIJUHR-UHFFFAOYSA-N
XLogP11.31
TPSA459.86 Ų
H-Bond Donors16
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001646.56
LogP ≤ 511.31
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine with MolForge

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Related Compounds

N,N'-bis[3-[(2-phenylphenyl)methylamino]propyl]heptane-1,7-diamine
CID 10099664
N-(2,2-diphenylethyl)-1-3-[3-({3-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]propyl}amino)propyl]carbamimidamidomethanimidamide
CID 16047278
N-(2,2-diphenylethyl)-1-3-[3-({7-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]heptyl}amino)propyl]carbamimidamidomethanimidamide
CID 16047279
1-(3,3-diphenylpropyl)-3-[N-[3-[7-[3-[[N-[N-(3,3-diphenylpropyl)carbamimidoyl]carbamimidoyl]amino]propylamino]heptylamino]propyl]carbamimidoyl]guanidine
CID 16047280
N-(3,3-diphenylpropyl)-1-3-[3-({4-[(3-{N-[3-(3,3-diphenylpropyl)carbamimidamidomethanimidoyl]amino}propyl)amino]butyl}amino)propyl]carbamimidamidomethanimidamide
CID 16047389
N,N'-bis[(4-phenylphenyl)methyl]propane-1,3-diamine
CID 10112030
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
N,N'-bis[(4-phenylphenyl)methyl]pentane-1,5-diamine
CID 10274591
1-benzyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 11443218
N'-[3-[bis[(4-phenylphenyl)methyl]amino]propyl]butane-1,4-diamine
CID 145984985
1,4,17,20,23,36,41,54-Octazaoctacyclo[18.18.18.16,10.111,15.125,29.130,34.143,47.148,52]dohexaconta-6(62),7,9,11,13,15(61),25(60),26,28,30,32,34(59),43(58),44,46,48,50,52(57)-octadecaene
CID 155533610
N-(2,2-diphenylethyl)-1-3-[3-({4-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]butyl}amino)propyl]carbamimidamidomethanimidamide
CID 16047281

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine (CID 160892348) is 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine is CC(C)(C)c1ccc(CN(CCCN)CCCN)cc1.CC(C)(C)c1ccc(CN(CCCN)CCCN=C(N)N)cc1.CC(C)(C)c1ccc(CN(CCCN=C(N)N)CCCN=C(N)N)cc1.CC(C)(C)c1ccc(CN=C(N)N)cc1.CC(C)(C)c1ccc(CNCCCN)cc1.CC(C)(C)c1ccc(CNCCCN=C(N)N)cc1.
What is the InChIKey of 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine?
The InChIKey is SOLANKBAUIJUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N7.C18H33N5.C17H31N3.C15H26N4.C14H24N2.C12H19N3/c1-19(2,3)16-8-6-15(7-9-16)14-26(12-4-10-24-17(20)21)13-5-11-25-18(22)23;1-18(2,3)16-8-6-15(7-9-16)14-23(12-4-10-19)13-5-11-22-17(20)21;1-17(2,3)16-8-6-15(7-9-16)14-20(12-4-10-18)13-5-11-19;1-15(2,3)13-7-5-12(6-8-13)11-18-9-4-10-19-14(16)17;1-14(2,3)13-7-5-12(6-8-13)11-16-10-4-9-15;1-12(2,3)10-6-4-9(5-7-10)8-15-11(13)14/h6-9H,4-5,10-14H2,1-3H3,(H4,20,21,24)(H4,22,23,25);6-9H,4-5,10-14,19H2,1-3H3,(H4,20,21,22);6-9H,4-5,10-14,18-19H2,1-3H3;5-8,18H,4,9-11H2,1-3H3,(H4,16,17,19);5-8,16H,4,9-11,15H2,1-3H3;4-7H,8H2,1-3H3,(H4,13,14,15).
What are the key properties of 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine?
2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine has a molecular weight of 1646.56 g/mol, XLogP of 11.31, 40 rotatable bonds, 16 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-aminopropyl-[(4-tert-butylphenyl)methyl]amino]propyl]guanidine;N'-(3-aminopropyl)-N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine;2-[3-[(4-tert-butylphenyl)methylamino]propyl]guanidine;2-[3-[(4-tert-butylphenyl)methyl-[3-(diaminomethylideneamino)propyl]amino]propyl]guanidine;2-[(4-tert-butylphenyl)methyl]guanidine;N'-[(4-tert-butylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 160892348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).