2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide

C15H31N3O — CID 106047668

IUPAC2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1CCCCC1CN
InChIInChI=1S/C15H31N3O/c1-12(2)18(3)10-6-9-17-15(19)14-8-5-4-7-13(14)11-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyVZVXNROGMFKVCC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

About 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide

2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide (PubChem CID 106047668) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
PubChem CID106047668
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
SMILESCC(C)N(C)CCCNC(=O)C1CCCCC1CN
InChIInChI=1S/C15H31N3O/c1-12(2)18(3)10-6-9-17-15(19)14-8-5-4-7-13(14)11-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyVZVXNROGMFKVCC-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(5-hydroxypentyl)cyclopentane-1-carboxamide
CID 107317629
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 113327463
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 113269315
3-amino-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide
CID 55116859
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclopentane-1-carboxamide
CID 102906008
4-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-methylbutanoic acid
CID 80539395
4-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-3-methylbutanoic acid
CID 81073388
2-(aminomethyl)-N-(3,3-dimethylbutyl)cyclopentane-1-carboxamide
CID 115747505
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022
2-(aminomethyl)-N-[2-(methylsulfamoyl)ethyl]cyclopentane-1-carboxamide
CID 114175192

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide (CID 106047668) is 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide is CC(C)N(C)CCCNC(=O)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
The InChIKey is VZVXNROGMFKVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)18(3)10-6-9-17-15(19)14-8-5-4-7-13(14)11-16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide?
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 106047668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).