(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine

C11H23N3 — CID 134406237

IUPAC(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine
SMILESCCCN(CCC)/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H23N3/c1-4-8-14(9-5-2)11(13)7-6-10(3)12/h6-7H,4-5,8-9,12-13H2,1-3H3/b10-6-,11-7+
InChIKeyQPWCZCRJYMMKEY-NAKBGQTNSA-N
MW197.33 g/mol
LogP1.77
Rot. Bonds6

About (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine

(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine (PubChem CID 134406237) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine.

Molecular Properties

Compound Name(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine
PubChem CID134406237
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine
SMILESCCCN(CCC)/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H23N3/c1-4-8-14(9-5-2)11(13)7-6-10(3)12/h6-7H,4-5,8-9,12-13H2,1-3H3/b10-6-,11-7+
InChIKeyQPWCZCRJYMMKEY-NAKBGQTNSA-N
XLogP1.77
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3Z)-1-N',1-N'-dipropylpenta-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

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine?
The IUPAC name of (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine (CID 134406237) is (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine.
What is the SMILES notation for (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine?
The canonical SMILES for (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine is CCCN(CCC)/C(N)=C/C=C(/C)N.
What is the InChIKey of (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine?
The InChIKey is QPWCZCRJYMMKEY-NAKBGQTNSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-8-14(9-5-2)11(13)7-6-10(3)12/h6-7H,4-5,8-9,12-13H2,1-3H3/b10-6-,11-7+.
What are the key properties of (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine?
(1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine has a molecular weight of 197.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-N',1-N'-dipropylpenta-1,3-diene-1,1,4-triamine is sourced from PubChem (CID 134406237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).