N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide

C16H30ClNO — CID 106117575

IUPACN-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCCC(CCCl)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H30ClNO/c1-4-7-13(9-11-17)12-18-15(19)14-8-5-6-10-16(14,2)3/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyWEWJJENIDCVQIC-UHFFFAOYSA-N
MW287.88 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide

N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 106117575) has the molecular formula C16H30ClNO and a molecular weight of 287.88 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID106117575
Molecular FormulaC16H30ClNO
Molecular Weight287.88 g/mol
Exact Mass287.20
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCCC(CCCl)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H30ClNO/c1-4-7-13(9-11-17)12-18-15(19)14-8-5-6-10-16(14,2)3/h13-14H,4-12H2,1-3H3,(H,18,19)
InChIKeyWEWJJENIDCVQIC-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 54.36
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-(4-chloro-2-methylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184110
N-[2-(2-chloroethyl)pentyl]-4,4-difluorocyclohexane-1-carboxamide
CID 106117502
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184438
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184547
N-[2-(2-chloroethyl)pentyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106117756
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-(3-hydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918370
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-(4-bromopentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 106131588

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 106117575) is N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide is CCCC(CCCl)CNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is WEWJJENIDCVQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO/c1-4-7-13(9-11-17)12-18-15(19)14-8-5-6-10-16(14,2)3/h13-14H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 287.88 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106117575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).