1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C15H29N3O2 — CID 115437311

IUPAC1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C(C)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-18(5-2)13(19)12(3)17-14(20)15(11-16)9-7-6-8-10-15/h12H,4-11,16H2,1-3H3,(H,17,20)
InChIKeyWFYMZPKPUHWGHW-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.27
Rot. Bonds6

About 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 115437311) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID115437311
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C(C)NC(=O)C1(CN)CCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-18(5-2)13(19)12(3)17-14(20)15(11-16)9-7-6-8-10-15/h12H,4-11,16H2,1-3H3,(H,17,20)
InChIKeyWFYMZPKPUHWGHW-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
CID 11651747
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
2-(cyclohexylformamido)-N,N-dimethylacetamide
CID 800131
(S)-2-[(R)-2-Cyclohexylmethyl-3-(formyl-hydroxy-amino)-propionylamino]-3,3,N,N-tetramethyl-butyramide
CID 10384477
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)butyramide
CID 52941697
N-[2-(cyclohexylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 800535
1-[(N-acetylglycyl)amino]-N-cyclopentylcyclohexanecarboxamide
CID 3242198
(R)-2-Formylaminomethyl-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-dimethyl-propyl)-amide
CID 44345924
4-tert-butyl-N-(3-methyl-1-oxo-1-{[3-(piperidin-1-yl)propyl]amino}butan-2-yl)cyclohexanecarboxamide
CID 16188551
(3S,6S,13R)-6-(4-aminobutyl)-3-(cyclohexylmethyl)-13-undecyl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone
CID 10578846
(2S)-2-amino-N-[(2S)-1-(butylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-methylbutanamide
CID 10758455
(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 75411486

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 115437311) is 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is CCN(CC)C(=O)C(C)NC(=O)C1(CN)CCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is WFYMZPKPUHWGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-18(5-2)13(19)12(3)17-14(20)15(11-16)9-7-6-8-10-15/h12H,4-11,16H2,1-3H3,(H,17,20).
What are the key properties of 1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.27, 6 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)-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).