N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide

C15H28ClNO — CID 107184547

IUPACN-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)CC(Cl)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H28ClNO/c1-11(2)9-12(16)10-17-14(18)13-7-5-6-8-15(13,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyGEMRZBZUZLRZLB-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.97
Rot. Bonds5

About N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107184547) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107184547
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC NameN-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)CC(Cl)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H28ClNO/c1-11(2)9-12(16)10-17-14(18)13-7-5-6-8-15(13,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyGEMRZBZUZLRZLB-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
N-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184110
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 106117575
N-(2-cyanopropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104919622
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 106131588
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184708
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
CID 107175022
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107184547) is N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide is CC(C)CC(Cl)CNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is GEMRZBZUZLRZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-11(2)9-12(16)10-17-14(18)13-7-5-6-8-15(13,3)4/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 273.85 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107184547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).