3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine

C13H24N2 — CID 143112157

IUPAC3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine
SMILESC=C(C)C(=C)NCCCN1CCCCC1
InChIInChI=1S/C13H24N2/c1-12(2)13(3)14-8-7-11-15-9-5-4-6-10-15/h14H,1,3-11H2,2H3
InChIKeyKMYZIWJMTLYIPM-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.54
Rot. Bonds6

About 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine

3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine (PubChem CID 143112157) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine
PubChem CID143112157
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine
SMILESC=C(C)C(=C)NCCCN1CCCCC1
InChIInChI=1S/C13H24N2/c1-12(2)13(3)14-8-7-11-15-9-5-4-6-10-15/h14H,1,3-11H2,2H3
InChIKeyKMYZIWJMTLYIPM-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-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

(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine
CID 144862403
2,3,4-Trimethylidenepiperidine
CID 19087571
2,3-Dimethylidenepiperidine
CID 19087574
2,3,4,5-Tetramethylidenepiperidine
CID 19980188
N-methyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine
CID 57797989
N-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-amine
CID 57798005
1-(3-Methylbut-1-en-2-yl)piperidin-4-amine
CID 57798139
N-(3-methylbut-1-en-2-yl)piperidin-4-amine
CID 57798147
1-ethyl-N-(3-methylbut-1-en-2-yl)piperidin-4-amine
CID 58201019
N-(3-methylbut-1-en-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 58201077
N'-(3-methylbuta-1,3-dien-2-yl)propane-1,3-diamine
CID 59547394
1-methyl-N-(2-methylprop-2-en-1-yl)piperidin-4-amine
CID 60694042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine?
The IUPAC name of 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine (CID 143112157) is 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine.
What is the SMILES notation for 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine?
The canonical SMILES for 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine is C=C(C)C(=C)NCCCN1CCCCC1.
What is the InChIKey of 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine?
The InChIKey is KMYZIWJMTLYIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2)13(3)14-8-7-11-15-9-5-4-6-10-15/h14H,1,3-11H2,2H3.
What are the key properties of 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine?
3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine has a molecular weight of 208.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperidin-1-ylpropyl)buta-1,3-dien-2-amine is sourced from PubChem (CID 143112157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).