3-methylimino-3-piperidin-4-ylprop-1-en-1-amine

C9H17N3 — CID 174317387

IUPAC3-methylimino-3-piperidin-4-ylprop-1-en-1-amine
SMILESC/N=C(\C=CN)C1CCNCC1
InChIInChI=1S/C9H17N3/c1-11-9(2-5-10)8-3-6-12-7-4-8/h2,5,8,12H,3-4,6-7,10H2,1H3/b5-2?,11-9+
InChIKeyUOILUKHAZXWKLH-WZPPQDKKSA-N
MW167.26 g/mol
LogP0.53
Rot. Bonds2

About 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine

3-methylimino-3-piperidin-4-ylprop-1-en-1-amine (PubChem CID 174317387) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-3-piperidin-4-ylprop-1-en-1-amine
PubChem CID174317387
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-methylimino-3-piperidin-4-ylprop-1-en-1-amine
SMILESC/N=C(\C=CN)C1CCNCC1
InChIInChI=1S/C9H17N3/c1-11-9(2-5-10)8-3-6-12-7-4-8/h2,5,8,12H,3-4,6-7,10H2,1H3/b5-2?,11-9+
InChIKeyUOILUKHAZXWKLH-WZPPQDKKSA-N
XLogP0.53
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine?
The IUPAC name of 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine (CID 174317387) is 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine.
What is the SMILES notation for 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine?
The canonical SMILES for 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine is C/N=C(\C=CN)C1CCNCC1.
What is the InChIKey of 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine?
The InChIKey is UOILUKHAZXWKLH-WZPPQDKKSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-9(2-5-10)8-3-6-12-7-4-8/h2,5,8,12H,3-4,6-7,10H2,1H3/b5-2?,11-9+.
What are the key properties of 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine?
3-methylimino-3-piperidin-4-ylprop-1-en-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-3-piperidin-4-ylprop-1-en-1-amine is sourced from PubChem (CID 174317387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).