2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

C16H31N3O — CID 104844601

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
SMILESCC(CNC(=O)CC1(CN)CCCCC1)N(C)C1CC1
InChIInChI=1S/C16H31N3O/c1-13(19(2)14-6-7-14)11-18-15(20)10-16(12-17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyPQGVPPZFVSRFAS-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide (PubChem CID 104844601) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
PubChem CID104844601
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
SMILESCC(CNC(=O)CC1(CN)CCCCC1)N(C)C1CC1
InChIInChI=1S/C16H31N3O/c1-13(19(2)14-6-7-14)11-18-15(20)10-16(12-17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyPQGVPPZFVSRFAS-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 104677954
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 103814425
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
2-[1-(aminomethyl)cyclohexyl]-N-(2-ethoxypropyl)acetamide
CID 113459978
2-[[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]methyl]butanoic acid
CID 104678326
2-[1-(aminomethyl)cyclohexyl]-N-(2,2-diethoxyethyl)acetamide
CID 104678420
2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
2-[1-(aminomethyl)cyclohexyl]-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 113440176
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide
CID 107093488
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-methylbutyl)acetamide
CID 81169665

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide (CID 104844601) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide is CC(CNC(=O)CC1(CN)CCCCC1)N(C)C1CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
The InChIKey is PQGVPPZFVSRFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(19(2)14-6-7-14)11-18-15(20)10-16(12-17)8-4-3-5-9-16/h13-14H,3-12,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide is sourced from PubChem (CID 104844601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).