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

C16H32N2O — CID 106028328

IUPAC3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
SMILESCCCCC(CCC)NC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C16H32N2O/c1-4-6-8-14(7-5-2)18-16(19)13-10-9-12(3)15(17)11-13/h12-15H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyRRQNNGLDTXVCJD-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.22
Rot. Bonds7

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

3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide (PubChem CID 106028328) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
PubChem CID106028328
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
SMILESCCCCC(CCC)NC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C16H32N2O/c1-4-6-8-14(7-5-2)18-16(19)13-10-9-12(3)15(17)11-13/h12-15H,4-11,17H2,1-3H3,(H,18,19)
InChIKeyRRQNNGLDTXVCJD-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-4-yl-4-methylcyclohexane-1-carboxamide
CID 143046395
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601
3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
3-amino-N-(1-phenylhexan-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119802836
3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
CID 102915394
3-amino-4-methyl-N-(4-propylcyclohexyl)cyclohexane-1-carboxamide
CID 62781125
(4R)-3-amino-N'-iodo-4-methylcyclohexane-1-carbohydrazide
CID 134513239
2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
CID 114995860
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide (CID 106028328) is 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide is CCCCC(CCC)NC(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
The InChIKey is RRQNNGLDTXVCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-6-8-14(7-5-2)18-16(19)13-10-9-12(3)15(17)11-13/h12-15H,4-11,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide?
3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide has a molecular weight of 268.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 106028328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).