1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide

C16H32N2O — CID 106026003

IUPAC1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide
SMILESCCCCC(CCC)NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H32N2O/c1-4-6-10-14(8-5-2)18-15(19)16(17)11-7-9-13(3)12-16/h13-14H,4-12,17H2,1-3H3,(H,18,19)
InChIKeyNMENACVOBJQGGZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.37
Rot. Bonds7

About 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide

1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide (PubChem CID 106026003) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide
PubChem CID106026003
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide
SMILESCCCCC(CCC)NC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C16H32N2O/c1-4-6-10-14(8-5-2)18-15(19)16(17)11-7-9-13(3)12-16/h13-14H,4-12,17H2,1-3H3,(H,18,19)
InChIKeyNMENACVOBJQGGZ-UHFFFAOYSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cycloheptanecarboxamide
CID 155516492
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
N,N'-1,2-propanediyldicyclohexanecarboxamide
CID 2921928
N-[(3S)-2-oxoazepan-3-yl]-4-pentylcyclohexane-1-carboxamide
CID 11544064
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-cyclohexylpropanamide
CID 9798760
(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropylamino)pentanoyl]amino]pentanoyl]amino]-4-methylpentanamide
CID 11744611
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-2-(3-cyclohexylpropylamino)-2-methylpentanamide
CID 44306672
(S)-2-{(S)-2-[2-(3-Cyclohexyl-propylamino)-2-methyl-propionylamino]-pentanoylamino}-4-methyl-pentanoic acid amide
CID 44307119
(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)butyramide
CID 52941697
2-cyclohexyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 651966
Isooctadecanamide, N-(2-((2-aminoethyl)amino)ethyl)-
CID 109516
1-[(N-acetylglycyl)amino]-N-cyclopentylcyclohexanecarboxamide
CID 3242198

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide (CID 106026003) is 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide is CCCCC(CCC)NC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
The InChIKey is NMENACVOBJQGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-6-10-14(8-5-2)18-15(19)16(17)11-7-9-13(3)12-16/h13-14H,4-12,17H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 106026003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).