N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide

C14H26ClNO — CID 107184321

IUPACN-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCN(CCCCl)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H26ClNO/c1-4-16(11-7-10-15)13(17)12-8-5-6-9-14(12,2)3/h12H,4-11H2,1-3H3
InChIKeyPHWODLJEZFDXRS-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.68
Rot. Bonds5

About N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide

N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107184321) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107184321
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCN(CCCCl)C(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H26ClNO/c1-4-16(11-7-10-15)13(17)12-8-5-6-9-14(12,2)3/h12H,4-11H2,1-3H3
InChIKeyPHWODLJEZFDXRS-UHFFFAOYSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.68
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-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107183873
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
CID 107178551
methyl 2-[(2,2-dimethylcyclopentanecarbonyl)-ethylamino]acetate
CID 104917407
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-(3-bromopropyl)-N,2,2-trimethylcyclohexane-1-carboxamide
CID 106441463
N-cyclopentyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180339
N-cyclopropyl-N-(2-hydroxyethyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180319
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
CID 104917287
N,2,2-trimethyl-N-[3-(methylamino)propyl]cyclohexane-1-carboxamide
CID 107176010
1-(2,2-dimethylcyclohexyl)hexan-1-one
CID 107186772
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
CID 107180646

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide (CID 107184321) is N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide is CCN(CCCCl)C(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is PHWODLJEZFDXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-4-16(11-7-10-15)13(17)12-8-5-6-9-14(12,2)3/h12H,4-11H2,1-3H3.
What are the key properties of N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 259.82 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107184321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).