1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine

C21H39N5 — CID 110998033

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(C)N(C)c1ccccc1
InChIInChI=1S/C21H39N5/c1-7-26(8-2)16-12-13-18(3)24-21(22-5)23-17-19(4)25(6)20-14-10-9-11-15-20/h9-11,14-15,18-19H,7-8,12-13,16-17H2,1-6H3,(H2,22,23,24)
InChIKeyFCWMQZPYDOVRAP-UHFFFAOYSA-N
MW361.58 g/mol
LogP3.19
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine (PubChem CID 110998033) has the molecular formula C21H39N5 and a molecular weight of 361.58 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
PubChem CID110998033
Molecular FormulaC21H39N5
Molecular Weight361.58 g/mol
Exact Mass361.32
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(C)N(C)c1ccccc1
InChIInChI=1S/C21H39N5/c1-7-26(8-2)16-12-13-18(3)24-21(22-5)23-17-19(4)25(6)20-14-10-9-11-15-20/h9-11,14-15,18-19H,7-8,12-13,16-17H2,1-6H3,(H2,22,23,24)
InChIKeyFCWMQZPYDOVRAP-UHFFFAOYSA-N
XLogP3.19
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110943546
2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126318
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772
1-[5-(diethylamino)pentan-2-yl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
CID 110999207
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(3-phenoxypropyl)guanidine
CID 110999013
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999819
1-[5-(diethylamino)pentan-2-yl]-3-[2-[4-(dimethylamino)phenyl]ethyl]-2-methylguanidine
CID 110998649
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-phenylmethoxyethyl)guanidine;hydroiodide
CID 111964038
1-[5-(diethylamino)pentan-2-yl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 110999507
1-(3-hydroxy-2-phenylpropyl)-2-methyl-3-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 109408317
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 110998601
1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine (CID 110998033) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine is CCN(CC)CCCC(C)N/C(=N\C)NCC(C)N(C)c1ccccc1.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine?
The InChIKey is FCWMQZPYDOVRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5/c1-7-26(8-2)16-12-13-18(3)24-21(22-5)23-17-19(4)25(6)20-14-10-9-11-15-20/h9-11,14-15,18-19H,7-8,12-13,16-17H2,1-6H3,(H2,22,23,24).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine has a molecular weight of 361.58 g/mol, XLogP of 3.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine is sourced from PubChem (CID 110998033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).