3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide

C15H31N3O — CID 62781601

IUPAC3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)10-12(4)17-15(19)13-8-7-11(3)14(16)9-13/h11-14H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyCAVHTBAIZVQPGA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds6

About 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide

3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 62781601) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID62781601
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)10-12(4)17-15(19)13-8-7-11(3)14(16)9-13/h11-14H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyCAVHTBAIZVQPGA-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784879
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319618
3-amino-N-ethyl-N,4-dimethylcyclohexane-1-carboxamide
CID 62782994
3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106028328
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
4-amino-N-[4-(dimethylamino)butan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 55115402
3-amino-N-butan-2-yl-N-ethyl-4-methylcyclohexane-1-carboxamide
CID 62782504
2-[1-(diethylamino)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978652
3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
CID 102915394
3-amino-N,N-diethyl-4-methylcyclohexane-1-carboxamide
CID 62777554
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 62781601) is 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide is CCN(CC)CC(C)NC(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is CAVHTBAIZVQPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-18(6-2)10-12(4)17-15(19)13-8-7-11(3)14(16)9-13/h11-14H,5-10,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 62781601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).