1-prop-2-ynylpiperidin-3-amine

C8H14N2 — CID 54595056

IUPAC1-prop-2-ynylpiperidin-3-amine
SMILESC#CCN1CCCC(N)C1
InChIInChI=1S/C8H14N2/c1-2-5-10-6-3-4-8(9)7-10/h1,8H,3-7,9H2
InChIKeyLPAIJTCPOYPLDO-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.04
Rot. Bonds1

About 1-prop-2-ynylpiperidin-3-amine

1-prop-2-ynylpiperidin-3-amine (PubChem CID 54595056) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-prop-2-ynylpiperidin-3-amine.

Molecular Properties

Compound Name1-prop-2-ynylpiperidin-3-amine
PubChem CID54595056
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-prop-2-ynylpiperidin-3-amine
SMILESC#CCN1CCCC(N)C1
InChIInChI=1S/C8H14N2/c1-2-5-10-6-3-4-8(9)7-10/h1,8H,3-7,9H2
InChIKeyLPAIJTCPOYPLDO-UHFFFAOYSA-N
XLogP0.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-ynylpiperidin-3-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 1-prop-2-ynylpiperidin-3-amine?
The IUPAC name of 1-prop-2-ynylpiperidin-3-amine (CID 54595056) is 1-prop-2-ynylpiperidin-3-amine.
What is the SMILES notation for 1-prop-2-ynylpiperidin-3-amine?
The canonical SMILES for 1-prop-2-ynylpiperidin-3-amine is C#CCN1CCCC(N)C1.
What is the InChIKey of 1-prop-2-ynylpiperidin-3-amine?
The InChIKey is LPAIJTCPOYPLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-5-10-6-3-4-8(9)7-10/h1,8H,3-7,9H2.
What are the key properties of 1-prop-2-ynylpiperidin-3-amine?
1-prop-2-ynylpiperidin-3-amine has a molecular weight of 138.21 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylpiperidin-3-amine is sourced from PubChem (CID 54595056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).