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

C13H27N3O — CID 62781307

IUPAC5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NCCCN(C)C
InChIInChI=1S/C13H27N3O/c1-10-5-6-11(14)9-12(10)13(17)15-7-4-8-16(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFYUUANKJWBLAQJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide

5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 62781307) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
PubChem CID62781307
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NCCCN(C)C
InChIInChI=1S/C13H27N3O/c1-10-5-6-11(14)9-12(10)13(17)15-7-4-8-16(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFYUUANKJWBLAQJ-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
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

4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
5-amino-N-[4-(dimethylamino)butan-2-yl]-2-methylcyclohexane-1-carboxamide
CID 62782765
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
CID 114995087
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114516722
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133090
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide
CID 58751710
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide (CID 62781307) is 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide is CC1CCC(N)CC1C(=O)NCCCN(C)C.
What is the InChIKey of 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is FYUUANKJWBLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10-5-6-11(14)9-12(10)13(17)15-7-4-8-16(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide?
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).