N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine

C11H22ClN — CID 82937345

IUPACN-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
SMILESCCC(C)(CCl)NC1CCCCC1
InChIInChI=1S/C11H22ClN/c1-3-11(2,9-12)13-10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyFIBHDIZKRAHLKH-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.32
Rot. Bonds4

About N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine

N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine (PubChem CID 82937345) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
PubChem CID82937345
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
SMILESCCC(C)(CCl)NC1CCCCC1
InChIInChI=1S/C11H22ClN/c1-3-11(2,9-12)13-10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyFIBHDIZKRAHLKH-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.32
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-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
CID 82937251
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
2-(cyclohexylamino)-2-methylheptan-1-ol
CID 80558659
N-(4-methyldecan-4-yl)cyclohexanamine
CID 139320113
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056
1-methyl-N-(3-methylpentan-3-yl)piperidin-4-amine
CID 115920386
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-[2-(chloromethyl)-2-ethylbutyl]cyclopentanamine
CID 106252379
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine (CID 82937345) is N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine is CCC(C)(CCl)NC1CCCCC1.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine?
The InChIKey is FIBHDIZKRAHLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-3-11(2,9-12)13-10-7-5-4-6-8-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine?
N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine has a molecular weight of 203.76 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine is sourced from PubChem (CID 82937345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).