N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

C15H26ClNO — CID 106132007

IUPACN-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C15H26ClNO/c1-15(2)8-4-7-13(15)14(18)17-10-11-5-3-6-12(16)9-11/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyWUQLUOBFHLTRJO-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.73
Rot. Bonds3

About N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide

N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 106132007) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID106132007
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)NCC1CCCC(Cl)C1
InChIInChI=1S/C15H26ClNO/c1-15(2)8-4-7-13(15)14(18)17-10-11-5-3-6-12(16)9-11/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyWUQLUOBFHLTRJO-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.73
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-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106128288
N-[(3-chlorocyclohexyl)methyl]cyclobutanecarboxamide
CID 106132228
(1S)-N-(cyclobutylmethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130626986
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-[(3-chlorocyclohexyl)methyl]oxane-4-carboxamide
CID 106132213
N-[(3-chlorocyclohexyl)methyl]adamantane-2-carboxamide
CID 106131966
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184438
N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 114147613
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184222
N-[(3-chlorocyclohexyl)methyl]thiolane-3-carboxamide
CID 106131848
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide (CID 106132007) is N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)NCC1CCCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is WUQLUOBFHLTRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNO/c1-15(2)8-4-7-13(15)14(18)17-10-11-5-3-6-12(16)9-11/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide?
N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 271.83 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 106132007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).