N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine

C11H22ClN — CID 82937251

IUPACN-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
SMILESCC(C)(CCl)NC1CCCCCC1
InChIInChI=1S/C11H22ClN/c1-11(2,9-12)13-10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyTUBVSANTOUKKCZ-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.32
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine

N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine (PubChem CID 82937251) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
PubChem CID82937251
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)cycloheptanamine
SMILESCC(C)(CCl)NC1CCCCCC1
InChIInChI=1S/C11H22ClN/c1-11(2,9-12)13-10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3
InChIKeyTUBVSANTOUKKCZ-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-(2,4,4-trimethylpentan-2-yl)cyclooctanamine
CID 43434257
N-(2,4,4-trimethylpentan-2-yl)cycloheptanamine
CID 43434260
N-(1-chloro-2-methylbutan-2-yl)cyclohexanamine
CID 82937345
N-(1-methoxy-2-methylpropan-2-yl)cycloheptanamine
CID 115906089
3-(cycloheptylamino)-3-methylbutanoic acid
CID 82933537
N-(2-fluoropropan-2-yl)cyclohexanamine
CID 145320025
N-tert-butylcyclobutanamine;N-tert-butylcyclohexanamine;N-tert-butylcyclopentanamine;N-tert-butylcyclopropanamine
CID 158164936
N-tert-butyl-4-[2-(cyclohexylamino)-2-methylpropyl]cycloheptan-1-amine
CID 130444257
N-(trichloromethyl)cyclohexanamine
CID 139668019
N-(2,3,3-trimethylbutan-2-yl)cyclopentanamine
CID 58297120
1-cyclohexyl-2-(2,4,4-trimethylpentan-2-yl)hydrazine
CID 143304936
N-(2,3-dimethylbutan-2-yl)cyclohexanamine
CID 89164056

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine (CID 82937251) is N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine is CC(C)(CCl)NC1CCCCCC1.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine?
The InChIKey is TUBVSANTOUKKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-11(2,9-12)13-10-7-5-3-4-6-8-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine?
N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine has a molecular weight of 203.76 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)cycloheptanamine is sourced from PubChem (CID 82937251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).