2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide

C12H25N3O — CID 62775948

IUPAC2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1CCCCC1N
InChIInChI=1S/C12H25N3O/c1-15(2)9-5-8-14-12(16)10-6-3-4-7-11(10)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyKNMITOIVSDZRDF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds5

About 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide

2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide (PubChem CID 62775948) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
PubChem CID62775948
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
SMILESCN(C)CCCNC(=O)C1CCCCC1N
InChIInChI=1S/C12H25N3O/c1-15(2)9-5-8-14-12(16)10-6-3-4-7-11(10)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyKNMITOIVSDZRDF-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
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

trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide
CID 58751710
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]cyclohexane-1-carboxamide
CID 64824842
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
2-amino-N-(4-hydroxybutyl)cyclopentane-1-carboxamide
CID 106842187
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729
2-amino-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 62777345
2-amino-N-[3-(2-hydroxyethoxy)propyl]cycloheptane-1-carboxamide
CID 106310524
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
CID 130504072
2-amino-N-[4-(2-methoxyethoxy)butyl]cyclohexane-1-carboxamide
CID 115738981
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]cyclohexane-1-carboxamide
CID 103814332
2-amino-N-hex-5-ynylcyclohexane-1-carboxamide
CID 106212965

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide (CID 62775948) is 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide is CN(C)CCCNC(=O)C1CCCCC1N.
What is the InChIKey of 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
The InChIKey is KNMITOIVSDZRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-15(2)9-5-8-14-12(16)10-6-3-4-7-11(10)13/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide?
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62775948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).