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

C16H33N3O — CID 115442035

IUPAC1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H33N3O/c1-5-19(6-2)11-14(4)18-15(20)16(12-17)9-7-13(3)8-10-16/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyFKEPPSYZEAUIFO-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.99
Rot. Bonds7

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

1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 115442035) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID115442035
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCCN(CC)CC(C)NC(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H33N3O/c1-5-19(6-2)11-14(4)18-15(20)16(12-17)9-7-13(3)8-10-16/h13-14H,5-12,17H2,1-4H3,(H,18,20)
InChIKeyFKEPPSYZEAUIFO-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-cyclohexylpropanamide
CID 9798760
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~2~-[(4-methylcyclohexyl)carbonyl]isoleucinamide
CID 16187988
4-tert-butyl-N-(3-methyl-1-oxo-1-{[3-(piperidin-1-yl)propyl]amino}butan-2-yl)cyclohexanecarboxamide
CID 16188551
4-ethyl-N-(3-methyl-1-{[3-(2-methylpiperidin-1-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 16187660
Rel-(9AR,13AS)-1-isobutyryltetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201226
N-(1-((3-(3,5-dimethylpiperidin-1-yl)propyl)amino)-3-methyl-1-oxobutan-2-yl)-4-methylcyclohexanecarboxamide
CID 5189481
N-{2-[Bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-3-methylbutanamide
CID 15987922
4-butyl-N-{[1-(dimethylamino)cyclohexyl]methyl}cyclohexanecarboxamide
CID 16455830
(1S,11R)-2-(3-methylbutanoyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201195
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[3-(diethylamino)-3-oxopropyl]propanamide
CID 95282736
N-(2-acetamidoethyl)-4,4-dimethylcyclohexane-1-carboxamide
CID 121571730

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 115442035) is 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide is CCN(CC)CC(C)NC(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is FKEPPSYZEAUIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-19(6-2)11-14(4)18-15(20)16(12-17)9-7-13(3)8-10-16/h13-14H,5-12,17H2,1-4H3,(H,18,20).
What are the key properties of 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 283.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115442035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).