(4-iminopiperidin-3-ylidene)methanamine

C6H11N3 — CID 173483756

IUPAC(4-iminopiperidin-3-ylidene)methanamine
SMILES[H]/N=C1\CCNCC1=CN
InChIInChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,8-9H,1-2,4,7H2/b5-3?,8-6+
InChIKeyMVZATHFQZGISHG-NIXDYCKDSA-N
MW125.17 g/mol
LogP-0.16
Rot. Bonds

About (4-iminopiperidin-3-ylidene)methanamine

(4-iminopiperidin-3-ylidene)methanamine (PubChem CID 173483756) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (4-iminopiperidin-3-ylidene)methanamine.

Molecular Properties

Compound Name(4-iminopiperidin-3-ylidene)methanamine
PubChem CID173483756
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(4-iminopiperidin-3-ylidene)methanamine
SMILES[H]/N=C1\CCNCC1=CN
InChIInChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,8-9H,1-2,4,7H2/b5-3?,8-6+
InChIKeyMVZATHFQZGISHG-NIXDYCKDSA-N
XLogP-0.16
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-iminopiperidin-3-ylidene)methanamine 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 (4-iminopiperidin-3-ylidene)methanamine?
The IUPAC name of (4-iminopiperidin-3-ylidene)methanamine (CID 173483756) is (4-iminopiperidin-3-ylidene)methanamine.
What is the SMILES notation for (4-iminopiperidin-3-ylidene)methanamine?
The canonical SMILES for (4-iminopiperidin-3-ylidene)methanamine is [H]/N=C1\CCNCC1=CN.
What is the InChIKey of (4-iminopiperidin-3-ylidene)methanamine?
The InChIKey is MVZATHFQZGISHG-NIXDYCKDSA-N. The full InChI is InChI=1S/C6H11N3/c7-3-5-4-9-2-1-6(5)8/h3,8-9H,1-2,4,7H2/b5-3?,8-6+.
What are the key properties of (4-iminopiperidin-3-ylidene)methanamine?
(4-iminopiperidin-3-ylidene)methanamine has a molecular weight of 125.17 g/mol, XLogP of -0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iminopiperidin-3-ylidene)methanamine is sourced from PubChem (CID 173483756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).