3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride

C12H24ClN — CID 138397483

IUPAC3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCCCNC1C2CCC(C2)C1(C)C.Cl
InChIInChI=1S/C12H23N.ClH/c1-4-7-13-11-9-5-6-10(8-9)12(11,2)3;/h9-11,13H,4-8H2,1-3H3;1H
InChIKeyGIBXCULGCJKZFM-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.23
Rot. Bonds3

About 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride

3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 138397483) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID138397483
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCCCNC1C2CCC(C2)C1(C)C.Cl
InChIInChI=1S/C12H23N.ClH/c1-4-7-13-11-9-5-6-10(8-9)12(11,2)3;/h9-11,13H,4-8H2,1-3H3;1H
InChIKeyGIBXCULGCJKZFM-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-N-propylbicyclo[2.2.1]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 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 138397483) is 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride is CCCNC1C2CCC(C2)C1(C)C.Cl.
What is the InChIKey of 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is GIBXCULGCJKZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.ClH/c1-4-7-13-11-9-5-6-10(8-9)12(11,2)3;/h9-11,13H,4-8H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 217.78 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 138397483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).