N-butyl-1-methylcyclohexane-1-carboxamide

C12H23NO — CID 168924588

IUPACN-butyl-1-methylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCC1
InChIInChI=1S/C12H23NO/c1-3-4-10-13-11(14)12(2)8-6-5-7-9-12/h3-10H2,1-2H3,(H,13,14)
InChIKeyIRUGFARTTPKMIF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.87
Rot. Bonds4

About N-butyl-1-methylcyclohexane-1-carboxamide

N-butyl-1-methylcyclohexane-1-carboxamide (PubChem CID 168924588) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-butyl-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-1-methylcyclohexane-1-carboxamide
PubChem CID168924588
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-butyl-1-methylcyclohexane-1-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCC1
InChIInChI=1S/C12H23NO/c1-3-4-10-13-11(14)12(2)8-6-5-7-9-12/h3-10H2,1-2H3,(H,13,14)
InChIKeyIRUGFARTTPKMIF-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
N-hex-5-ynyl-1-methylcyclohexane-1-carboxamide
CID 105056307
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
ethyl 4-[(1-methylcyclopentanecarbonyl)amino]butanoate
CID 78909794
2-methyl-5-[(1-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 106826432
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
N-[3-(2-chloroethoxy)propyl]-1-methylcyclohexane-1-carboxamide
CID 106306814
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286
N-ethyl-1-methylcyclobutane-1-carboxamide
CID 131131875
N-(3-amino-3-sulfanylidenepropyl)-1-methylcyclohexane-1-carboxamide
CID 106827346

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-butyl-1-methylcyclohexane-1-carboxamide (CID 168924588) is N-butyl-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-butyl-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-butyl-1-methylcyclohexane-1-carboxamide is CCCCNC(=O)C1(C)CCCCC1.
What is the InChIKey of N-butyl-1-methylcyclohexane-1-carboxamide?
The InChIKey is IRUGFARTTPKMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-10-13-11(14)12(2)8-6-5-7-9-12/h3-10H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-1-methylcyclohexane-1-carboxamide?
N-butyl-1-methylcyclohexane-1-carboxamide has a molecular weight of 197.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 168924588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).