N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine

C14H25N3 — CID 14585917

IUPACN'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine
SMILESC=C=CCNCCCNCCCNCC=C=C
InChIInChI=1S/C14H25N3/c1-3-5-9-15-11-7-13-17-14-8-12-16-10-6-4-2/h5-6,15-17H,1-2,7-14H2
InChIKeyMXBZDDOCCZCAAJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.22
Rot. Bonds12

About N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine

N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine (PubChem CID 14585917) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine
PubChem CID14585917
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine
SMILESC=C=CCNCCCNCCCNCC=C=C
InChIInChI=1S/C14H25N3/c1-3-5-9-15-11-7-13-17-14-8-12-16-10-6-4-2/h5-6,15-17H,1-2,7-14H2
InChIKeyMXBZDDOCCZCAAJ-UHFFFAOYSA-N
XLogP1.22
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine 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 N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine (CID 14585917) is N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine is C=C=CCNCCCNCCCNCC=C=C.
What is the InChIKey of N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine?
The InChIKey is MXBZDDOCCZCAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-9-15-11-7-13-17-14-8-12-16-10-6-4-2/h5-6,15-17H,1-2,7-14H2.
What are the key properties of N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine?
N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine has a molecular weight of 235.37 g/mol, XLogP of 1.22, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-2,3-dienyl-N-[3-(buta-2,3-dienylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 14585917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).