3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine

C9H14N2 — CID 130900540

IUPAC3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESC#CCN1CC2CC(C1)C2N
InChIInChI=1S/C9H14N2/c1-2-3-11-5-7-4-8(6-11)9(7)10/h1,7-9H,3-6,10H2
InChIKeyIWRLGXARIGGRAS-UHFFFAOYSA-N
MW150.23 g/mol
LogP-0.10
Rot. Bonds1

About 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine

3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 130900540) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID130900540
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine
SMILESC#CCN1CC2CC(C1)C2N
InChIInChI=1S/C9H14N2/c1-2-3-11-5-7-4-8(6-11)9(7)10/h1,7-9H,3-6,10H2
InChIKeyIWRLGXARIGGRAS-UHFFFAOYSA-N
XLogP-0.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-Methyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 47003622
3-(3-Fluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 130815129
3-(2-Fluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 130986162
3-(3,3,3-Trifluoropropyl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 131059201
3-(2,2,2-Trifluoroethyl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 131223640
N,3-dimethyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 21043919
3-Ethyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 47003624
3-(Propan-2-yl)-3-azabicyclo[3.1.1]heptan-6-amine
CID 47003628
3-Cyclopropyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 47003630
3-Tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 47003636
(1S,5R)-3-methyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 52271598
(1S,5R)-3-tert-butyl-3-azabicyclo[3.1.1]heptan-6-amine
CID 52271626

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine (CID 130900540) is 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine is C#CCN1CC2CC(C1)C2N.
What is the InChIKey of 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is IWRLGXARIGGRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-3-11-5-7-4-8(6-11)9(7)10/h1,7-9H,3-6,10H2.
What are the key properties of 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine?
3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 150.23 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynyl-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 130900540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).