1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide

C14H27N3O — CID 103814425

IUPAC1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1(N)CCCCC1)N(C)C1CC1
InChIInChI=1S/C14H27N3O/c1-11(17(2)12-6-7-12)10-16-13(18)14(15)8-4-3-5-9-14/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyIITCAZGACCUXMZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.25
Rot. Bonds5

About 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide

1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide (PubChem CID 103814425) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
PubChem CID103814425
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
SMILESCC(CNC(=O)C1(N)CCCCC1)N(C)C1CC1
InChIInChI=1S/C14H27N3O/c1-11(17(2)12-6-7-12)10-16-13(18)14(15)8-4-3-5-9-14/h11-12H,3-10,15H2,1-2H3,(H,16,18)
InChIKeyIITCAZGACCUXMZ-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
(2S)-3-[(1-aminocyclohexanecarbonyl)amino]-2-hydroxypropanoic acid
CID 107835729
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
3-[(1-aminocyclopentanecarbonyl)amino]-2-methylpropanoic acid
CID 62675201
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119875547
1-tert-butyl-3-[2-[cyclopropyl(methyl)amino]propyl]urea
CID 103752966
1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119878774
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 113269315

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide (CID 103814425) is 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide is CC(CNC(=O)C1(N)CCCCC1)N(C)C1CC1.
What is the InChIKey of 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
The InChIKey is IITCAZGACCUXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(17(2)12-6-7-12)10-16-13(18)14(15)8-4-3-5-9-14/h11-12H,3-10,15H2,1-2H3,(H,16,18).
What are the key properties of 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide?
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103814425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).