3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine

C15H28N2 — CID 18622249

IUPAC3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
SMILESCC1(CCCN)C2C=CC(C2)C1(C)CCCN
InChIInChI=1S/C15H28N2/c1-14(7-3-9-16)12-5-6-13(11-12)15(14,2)8-4-10-17/h5-6,12-13H,3-4,7-11,16-17H2,1-2H3
InChIKeyMJACFKOMEAKANB-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.68
Rot. Bonds6

About 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine

3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine (PubChem CID 18622249) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
PubChem CID18622249
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine
SMILESCC1(CCCN)C2C=CC(C2)C1(C)CCCN
InChIInChI=1S/C15H28N2/c1-14(7-3-9-16)12-5-6-13(11-12)15(14,2)8-4-10-17/h5-6,12-13H,3-4,7-11,16-17H2,1-2H3
InChIKeyMJACFKOMEAKANB-UHFFFAOYSA-N
XLogP2.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine 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-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The IUPAC name of 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine (CID 18622249) is 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine.
What is the SMILES notation for 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The canonical SMILES for 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine is CC1(CCCN)C2C=CC(C2)C1(C)CCCN.
What is the InChIKey of 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
The InChIKey is MJACFKOMEAKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-14(7-3-9-16)12-5-6-13(11-12)15(14,2)8-4-10-17/h5-6,12-13H,3-4,7-11,16-17H2,1-2H3.
What are the key properties of 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine?
3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropyl)-2,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]propan-1-amine is sourced from PubChem (CID 18622249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).