(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine

C11H21N3 — CID 170079294

IUPAC(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
SMILESCCC/C=C1/CNCC(NC)/C1=N\C
InChIInChI=1S/C11H21N3/c1-4-5-6-9-7-14-8-10(12-2)11(9)13-3/h6,10,12,14H,4-5,7-8H2,1-3H3/b9-6-,13-11-
InChIKeyZAPUZSQMZYVASQ-GAFAEJDHSA-N
MW195.31 g/mol
LogP0.97
Rot. Bonds3

About (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine

(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine (PubChem CID 170079294) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine.

Molecular Properties

Compound Name(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
PubChem CID170079294
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine
SMILESCCC/C=C1/CNCC(NC)/C1=N\C
InChIInChI=1S/C11H21N3/c1-4-5-6-9-7-14-8-10(12-2)11(9)13-3/h6,10,12,14H,4-5,7-8H2,1-3H3/b9-6-,13-11-
InChIKeyZAPUZSQMZYVASQ-GAFAEJDHSA-N
XLogP0.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-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 (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
The IUPAC name of (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine (CID 170079294) is (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine.
What is the SMILES notation for (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
The canonical SMILES for (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine is CCC/C=C1/CNCC(NC)/C1=N\C.
What is the InChIKey of (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
The InChIKey is ZAPUZSQMZYVASQ-GAFAEJDHSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-6-9-7-14-8-10(12-2)11(9)13-3/h6,10,12,14H,4-5,7-8H2,1-3H3/b9-6-,13-11-.
What are the key properties of (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine?
(5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine has a molecular weight of 195.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-butylidene-N-methyl-4-methyliminopiperidin-3-amine is sourced from PubChem (CID 170079294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).