(E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine

C14H23N3 — CID 143346463

IUPAC(E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine
SMILESC=CC(C=C)=N/C(=C(\C)N)N(C)CC(=C)CC
InChIInChI=1S/C14H23N3/c1-7-11(4)10-17(6)14(12(5)15)16-13(8-2)9-3/h8-9H,2-4,7,10,15H2,1,5-6H3/b14-12-
InChIKeyHZURFEYJOTXPNV-OWBHPGMISA-N
MW233.36 g/mol
LogP2.85
Rot. Bonds7

About (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine

(E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine (PubChem CID 143346463) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine
PubChem CID143346463
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine
SMILESC=CC(C=C)=N/C(=C(\C)N)N(C)CC(=C)CC
InChIInChI=1S/C14H23N3/c1-7-11(4)10-17(6)14(12(5)15)16-13(8-2)9-3/h8-9H,2-4,7,10,15H2,1,5-6H3/b14-12-
InChIKeyHZURFEYJOTXPNV-OWBHPGMISA-N
XLogP2.85
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-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 (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine (CID 143346463) is (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine is C=CC(C=C)=N/C(=C(\C)N)N(C)CC(=C)CC.
What is the InChIKey of (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine?
The InChIKey is HZURFEYJOTXPNV-OWBHPGMISA-N. The full InChI is InChI=1S/C14H23N3/c1-7-11(4)10-17(6)14(12(5)15)16-13(8-2)9-3/h8-9H,2-4,7,10,15H2,1,5-6H3/b14-12-.
What are the key properties of (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine?
(E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 143346463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).