2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine

C14H30N4 — CID 111099069

IUPAC2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/CC(C)N(C)C1CC1
InChIInChI=1S/C14H30N4/c1-4-5-6-7-10-16-14(15)17-11-12(2)18(3)13-8-9-13/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyVSUPBABCXIWOOM-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds9

About 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine

2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine (PubChem CID 111099069) has the molecular formula C14H30N4 and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
PubChem CID111099069
Molecular FormulaC14H30N4
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
SMILESCCCCCCN/C(N)=N/CC(C)N(C)C1CC1
InChIInChI=1S/C14H30N4/c1-4-5-6-7-10-16-14(15)17-11-12(2)18(3)13-8-9-13/h12-13H,4-11H2,1-3H3,(H3,15,16,17)
InChIKeyVSUPBABCXIWOOM-UHFFFAOYSA-N
XLogP1.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]propyl]-1-ethyl-3-pentylguanidine
CID 111129457
2-[2-[cyclopropyl(methyl)amino]propyl]-1-propan-2-ylguanidine;hydroiodide
CID 111099070
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(6-methylheptan-2-yl)guanidine
CID 111099072
2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine
CID 110935375
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 62980116
2-(cyclopropylmethyl)-1-heptylguanidine;methanesulfonic acid
CID 24879509
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-octylguanidine;hydroiodide
CID 111070427
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111099075
1-[3-[7-[3-[[N'-(cycloheptylmethyl)carbamimidoyl]amino]propylamino]heptylamino]propyl]-2-(2-methylheptyl)guanidine
CID 143412154
ethyl N-[2-[[amino-(hexylamino)methylidene]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 111812446
1-hexyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970331
1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine (CID 111099069) is 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine is CCCCCCN/C(N)=N/CC(C)N(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine?
The InChIKey is VSUPBABCXIWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-4-5-6-7-10-16-14(15)17-11-12(2)18(3)13-8-9-13/h12-13H,4-11H2,1-3H3,(H3,15,16,17).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine?
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine has a molecular weight of 254.42 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine is sourced from PubChem (CID 111099069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).