(3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine

C9H18N4 — CID 145197803

IUPAC(3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCCCC1
InChIInChI=1S/C9H18N4/c10-8(11)4-5-9(12)13-6-2-1-3-7-13/h4-5H,1-3,6-7,10-12H2/b9-5+
InChIKeyUSSRWTOUFKOQCY-WEVVVXLNSA-N
MW182.27 g/mol
LogP0.03
Rot. Bonds2

About (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine

(3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine (PubChem CID 145197803) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine
PubChem CID145197803
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine
SMILESNC(N)=C/C=C(\N)N1CCCCC1
InChIInChI=1S/C9H18N4/c10-8(11)4-5-9(12)13-6-2-1-3-7-13/h4-5H,1-3,6-7,10-12H2/b9-5+
InChIKeyUSSRWTOUFKOQCY-WEVVVXLNSA-N
XLogP0.03
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine 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

1-Piperidin-1-ylethenamine
CID 117634937
(3E)-4-(4,4-difluoropiperidin-1-yl)buta-1,3-diene-1,1,4-triamine
CID 156574937
(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708340
(Z)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708342
1-Piperidin-1-ylprop-1-en-1-amine
CID 66782408
1-Piperidin-1-ylbuta-1,2-dien-1-amine
CID 89066522
(1E,3E)-1-bromo-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,4-diamine
CID 143829675
(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
CID 145197870
1-N'-ethyl-1-N'-pentylprop-1-ene-1,1-diamine
CID 173457561
3-Amino-3-(piperidin-1-yl)prop-2-enenitrile
CID 71343804
(2Z,4E)-2,5-diamino-5-piperidin-1-ylpenta-2,4-dienenitrile
CID 144152049

Frequently Asked Questions

What is the IUPAC name of (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine?
The IUPAC name of (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine (CID 145197803) is (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine is NC(N)=C/C=C(\N)N1CCCCC1.
What is the InChIKey of (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine?
The InChIKey is USSRWTOUFKOQCY-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H18N4/c10-8(11)4-5-9(12)13-6-2-1-3-7-13/h4-5H,1-3,6-7,10-12H2/b9-5+.
What are the key properties of (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine?
(3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine has a molecular weight of 182.27 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 145197803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).