3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide

C17H34N2O — CID 107818268

IUPAC3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C17H34N2O/c1-13(2)8-6-4-5-7-11-19-17(20)15-10-9-14(3)16(18)12-15/h13-16H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyGPAUZTQGJMGLJT-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds8

About 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide

3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide (PubChem CID 107818268) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
PubChem CID107818268
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1CCC(C)C(N)C1
InChIInChI=1S/C17H34N2O/c1-13(2)8-6-4-5-7-11-19-17(20)15-10-9-14(3)16(18)12-15/h13-16H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyGPAUZTQGJMGLJT-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 62781322
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
3-amino-4-methyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 115522320
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62993831
2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818276
3-amino-N-(2-cyclohexyloxyethyl)-4-methylcyclohexane-1-carboxamide
CID 63833458
3-amino-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexane-1-carboxamide
CID 102915394
3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 115161643
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
3-amino-N-[1-(diethylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 62781601
3-amino-4-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106028328

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide (CID 107818268) is 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide is CC(C)CCCCCCNC(=O)C1CCC(C)C(N)C1.
What is the InChIKey of 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The InChIKey is GPAUZTQGJMGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)8-6-4-5-7-11-19-17(20)15-10-9-14(3)16(18)12-15/h13-16H,4-12,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
3-amino-4-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 8 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-(7-methyloctyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107818268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).