N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine

C13H26ClN — CID 106141048

IUPACN-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
SMILESCC(C)(CCCCl)CNC1CCCCC1
InChIInChI=1S/C13H26ClN/c1-13(2,9-6-10-14)11-15-12-7-4-3-5-8-12/h12,15H,3-11H2,1-2H3
InChIKeyUDKMMFIRPXKACG-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.95
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine

N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine (PubChem CID 106141048) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
PubChem CID106141048
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
SMILESCC(C)(CCCCl)CNC1CCCCC1
InChIInChI=1S/C13H26ClN/c1-13(2,9-6-10-14)11-15-12-7-4-3-5-8-12/h12,15H,3-11H2,1-2H3
InChIKeyUDKMMFIRPXKACG-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.95
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

5-(cyclohexylamino)-4,4-dimethylpentanenitrile
CID 115651344
5-chloro-N-(cyclopentylmethyl)-2,2-dimethylpentan-1-amine
CID 106141095
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
5-(cyclopentylamino)-4,4-dimethylpentanenitrile
CID 115910566
N-(2,2-dimethylnonyl)cyclopropanamine
CID 63523416
N-(2,2-dimethyloctyl)cyclopropanamine
CID 62724340
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
N-(2,2,5,5-tetramethylhexyl)cyclopropanamine
CID 62725148
5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
5-chloro-N,2,2-trimethylpentan-1-amine
CID 106140604
1-N-cyclohexyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847312
1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847310

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine (CID 106141048) is N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine is CC(C)(CCCCl)CNC1CCCCC1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine?
The InChIKey is UDKMMFIRPXKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c1-13(2,9-6-10-14)11-15-12-7-4-3-5-8-12/h12,15H,3-11H2,1-2H3.
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine?
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine has a molecular weight of 231.81 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine is sourced from PubChem (CID 106141048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).