N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide

C14H24ClNO — CID 107183873

IUPACN-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C14H24ClNO/c1-14(2)8-4-3-5-12(14)13(17)16(10-9-15)11-6-7-11/h11-12H,3-10H2,1-2H3
InChIKeyPUYBEKAIMPOQLA-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.43
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide

N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107183873) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107183873
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C14H24ClNO/c1-14(2)8-4-3-5-12(14)13(17)16(10-9-15)11-6-7-11/h11-12H,3-10H2,1-2H3
InChIKeyPUYBEKAIMPOQLA-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
N-(2-bromoethyl)-N-cyclohexyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107183930
N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107184321
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107182757
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107180646
N-ethyl-2,2-dimethyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide
CID 107176121
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N-(2-hydroxypropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107180341

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide (CID 107183873) is N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is PUYBEKAIMPOQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-14(2)8-4-3-5-12(14)13(17)16(10-9-15)11-6-7-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide?
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 257.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107183873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).