N-(2-chlorocyclopentyl)cycloheptanamine

C12H22ClN — CID 127002051

IUPACN-(2-chlorocyclopentyl)cycloheptanamine
SMILESClC1CCCC1NC1CCCCCC1
InChIInChI=1S/C12H22ClN/c13-11-8-5-9-12(11)14-10-6-3-1-2-4-7-10/h10-12,14H,1-9H2
InChIKeyHGDDBWKWAXRZCV-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.46
Rot. Bonds2

About N-(2-chlorocyclopentyl)cycloheptanamine

N-(2-chlorocyclopentyl)cycloheptanamine (PubChem CID 127002051) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)cycloheptanamine
PubChem CID127002051
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC NameN-(2-chlorocyclopentyl)cycloheptanamine
SMILESClC1CCCC1NC1CCCCCC1
InChIInChI=1S/C12H22ClN/c13-11-8-5-9-12(11)14-10-6-3-1-2-4-7-10/h10-12,14H,1-9H2
InChIKeyHGDDBWKWAXRZCV-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)cycloheptanamine?
The IUPAC name of N-(2-chlorocyclopentyl)cycloheptanamine (CID 127002051) is N-(2-chlorocyclopentyl)cycloheptanamine.
What is the SMILES notation for N-(2-chlorocyclopentyl)cycloheptanamine?
The canonical SMILES for N-(2-chlorocyclopentyl)cycloheptanamine is ClC1CCCC1NC1CCCCCC1.
What is the InChIKey of N-(2-chlorocyclopentyl)cycloheptanamine?
The InChIKey is HGDDBWKWAXRZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c13-11-8-5-9-12(11)14-10-6-3-1-2-4-7-10/h10-12,14H,1-9H2.
What are the key properties of N-(2-chlorocyclopentyl)cycloheptanamine?
N-(2-chlorocyclopentyl)cycloheptanamine has a molecular weight of 215.77 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)cycloheptanamine is sourced from PubChem (CID 127002051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).