3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride

C12H22ClN — CID 165485494

IUPAC3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCl.NC12CC(C3CCCCCC3)(C1)C2
InChIInChI=1S/C12H21N.ClH/c13-12-7-11(8-12,9-12)10-5-3-1-2-4-6-10;/h10H,1-9,13H2;1H
InChIKeyMZJHBYYEPZMOMY-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.26
Rot. Bonds1

About 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride

3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride (PubChem CID 165485494) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride
PubChem CID165485494
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride
SMILESCl.NC12CC(C3CCCCCC3)(C1)C2
InChIInChI=1S/C12H21N.ClH/c13-12-7-11(8-12,9-12)10-5-3-1-2-4-6-10;/h10H,1-9,13H2;1H
InChIKeyMZJHBYYEPZMOMY-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The IUPAC name of 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride (CID 165485494) is 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride.
What is the SMILES notation for 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The canonical SMILES for 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride is Cl.NC12CC(C3CCCCCC3)(C1)C2.
What is the InChIKey of 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
The InChIKey is MZJHBYYEPZMOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.ClH/c13-12-7-11(8-12,9-12)10-5-3-1-2-4-6-10;/h10H,1-9,13H2;1H.
What are the key properties of 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride?
3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylbicyclo[1.1.1]pentan-1-amine;hydrochloride is sourced from PubChem (CID 165485494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).