(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine

C9H17N3 — CID 139357837

IUPAC(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CCCNC1C
InChIInChI=1S/C9H17N3/c1-7-9(3-2-4-12-7)8(5-10)6-11/h5-7,9-10,12H,2-4,11H2,1H3/b8-6+,10-5+
InChIKeyOPURJXNAIDCNEE-SOYUKNQTSA-N
MW167.26 g/mol
LogP0.87
Rot. Bonds2

About (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine

(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine (PubChem CID 139357837) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
PubChem CID139357837
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CCCNC1C
InChIInChI=1S/C9H17N3/c1-7-9(3-2-4-12-7)8(5-10)6-11/h5-7,9-10,12H,2-4,11H2,1H3/b8-6+,10-5+
InChIKeyOPURJXNAIDCNEE-SOYUKNQTSA-N
XLogP0.87
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-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

Related Compounds

(Z)-3-amino-2-piperidin-3-ylprop-2-enimidoyl fluoride
CID 139358115
1-(3-fluoropiperidin-3-yl)-2-methyl-N-(2-methylprop-1-enyl)prop-2-en-1-imine
CID 144851325
2-(4,4-Difluoropiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
CID 173980595
[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium
CID 154723610
(Z)-2-methyl-N-(1-piperidin-4-ylbutan-2-yl)but-2-en-1-imine
CID 130242041
4-(4-methyl-3H-pyrrol-2-yl)piperidine
CID 138631950
(Z)-3-imino-2-(3-methyl-6-propan-2-ylpiperazin-2-yl)prop-1-en-1-amine
CID 139357833
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-amine
CID 139357843
(Z)-2-[5-[(dimethyl-lambda4-sulfanylidene)amino]piperidin-3-yl]-3-iminoprop-1-en-1-amine
CID 139357850
[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]piperidin-3-yl]-hydroxy-dimethylphosphanium
CID 139358056
(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
CID 139358059
(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine
CID 139358109

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine (CID 139357837) is (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine is [H]/N=C/C(=C\N)C1CCCNC1C.
What is the InChIKey of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?
The InChIKey is OPURJXNAIDCNEE-SOYUKNQTSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-9(3-2-4-12-7)8(5-10)6-11/h5-7,9-10,12H,2-4,11H2,1H3/b8-6+,10-5+.
What are the key properties of (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine?
(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine has a molecular weight of 167.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 139357837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).