N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride

C9H18ClN — CID 3060813

IUPACN-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride
SMILESCCNC1CCCC2CC21.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-10-9-5-3-4-7-6-8(7)9;/h7-10H,2-6H2,1H3;1H
InChIKeyPSWQAASAPWMEFR-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.21
Rot. Bonds2

About N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride

N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride (PubChem CID 3060813) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride
PubChem CID3060813
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC NameN-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride
SMILESCCNC1CCCC2CC21.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-10-9-5-3-4-7-6-8(7)9;/h7-10H,2-6H2,1H3;1H
InChIKeyPSWQAASAPWMEFR-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride?
The IUPAC name of N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride (CID 3060813) is N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride.
What is the SMILES notation for N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride?
The canonical SMILES for N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride is CCNC1CCCC2CC21.Cl.
What is the InChIKey of N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride?
The InChIKey is PSWQAASAPWMEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-2-10-9-5-3-4-7-6-8(7)9;/h7-10H,2-6H2,1H3;1H.
What are the key properties of N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride?
N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbicyclo[4.1.0]heptan-2-amine;hydrochloride is sourced from PubChem (CID 3060813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).