2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide

C15H31N3O — CID 55116748

IUPAC2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1C(C)CCCC1N
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)11-7-10-17-15(19)14-12(3)8-6-9-13(14)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyFHGBOCBTECYDHJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

About 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide

2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide (PubChem CID 55116748) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide
PubChem CID55116748
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CCCNC(=O)C1C(C)CCCC1N
InChIInChI=1S/C15H31N3O/c1-4-18(5-2)11-7-10-17-15(19)14-12(3)8-6-9-13(14)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyFHGBOCBTECYDHJ-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-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818276
2-amino-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 62777345
4-[3-(diethylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783797
2-amino-N-(2-amino-2-oxoethyl)-6-methylcyclohexane-1-carboxamide
CID 62778088
2-amino-6-methyl-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 62781177
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-6-methylcyclohexane-1-carboxamide
CID 55116655
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
4-(aminomethyl)-N-[3-(diethylamino)propyl]cyclohexane-1-carboxamide
CID 55115127
N-[3-(diethylamino)propyl]azepane-2-carboxamide
CID 64563964
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide
CID 106280298
N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide
CID 11896621
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide (CID 55116748) is 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide is CCN(CC)CCCNC(=O)C1C(C)CCCC1N.
What is the InChIKey of 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide?
The InChIKey is FHGBOCBTECYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(5-2)11-7-10-17-15(19)14-12(3)8-6-9-13(14)16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide?
2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-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-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 55116748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).