2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide

C17H34N2O — CID 107818276

IUPAC2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1C(C)CCCC1N
InChIInChI=1S/C17H34N2O/c1-13(2)9-6-4-5-7-12-19-17(20)16-14(3)10-8-11-15(16)18/h13-16H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyXKSCBXWOYBJTLW-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds8

About 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide

2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide (PubChem CID 107818276) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
PubChem CID107818276
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide
SMILESCC(C)CCCCCCNC(=O)C1C(C)CCCC1N
InChIInChI=1S/C17H34N2O/c1-13(2)9-6-4-5-7-12-19-17(20)16-14(3)10-8-11-15(16)18/h13-16H,4-12,18H2,1-3H3,(H,19,20)
InChIKeyXKSCBXWOYBJTLW-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-(7-methyloctyl)cyclohexane-1-carboxamide
CID 107818268
2-amino-N-[3-(diethylamino)propyl]-6-methylcyclohexane-1-carboxamide
CID 55116748
2-amino-N-(2-amino-2-oxoethyl)-6-methylcyclohexane-1-carboxamide
CID 62778088
2-amino-6-methyl-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 62781177
2-amino-6-methyl-N-pentan-2-ylcyclohexane-1-carboxamide
CID 62783318
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-6-methylcyclohexane-1-carboxamide
CID 55116655
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-methylcyclohexane-1-carboxamide
CID 106280298
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597
2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 107817216
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide (CID 107818276) is 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide is CC(C)CCCCCCNC(=O)C1C(C)CCCC1N.
What is the InChIKey of 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
The InChIKey is XKSCBXWOYBJTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)9-6-4-5-7-12-19-17(20)16-14(3)10-8-11-15(16)18/h13-16H,4-12,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide?
2-amino-6-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 2-amino-6-methyl-N-(7-methyloctyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107818276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).