(3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine

C10H17N3 — CID 130338658

IUPAC(3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine
SMILESC=CN/C(C/N=C/C)=C(\C)C(=C)N
InChIInChI=1S/C10H17N3/c1-5-12-7-10(13-6-2)8(3)9(4)11/h5-6,13H,2,4,7,11H2,1,3H3/b10-8+,12-5+
InChIKeyAIDGNNVSEHIZAV-ZROACKIGSA-N
MW179.27 g/mol
LogP1.56
Rot. Bonds5

About (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine

(3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine (PubChem CID 130338658) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name(3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine
PubChem CID130338658
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine
SMILESC=CN/C(C/N=C/C)=C(\C)C(=C)N
InChIInChI=1S/C10H17N3/c1-5-12-7-10(13-6-2)8(3)9(4)11/h5-6,13H,2,4,7,11H2,1,3H3/b10-8+,12-5+
InChIKeyAIDGNNVSEHIZAV-ZROACKIGSA-N
XLogP1.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine?
The IUPAC name of (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine (CID 130338658) is (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine.
What is the SMILES notation for (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine?
The canonical SMILES for (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine is C=CN/C(C/N=C/C)=C(\C)C(=C)N.
What is the InChIKey of (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine?
The InChIKey is AIDGNNVSEHIZAV-ZROACKIGSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-12-7-10(13-6-2)8(3)9(4)11/h5-6,13H,2,4,7,11H2,1,3H3/b10-8+,12-5+.
What are the key properties of (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine?
(3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-N-ethenyl-5-(ethylideneamino)-3-methylpenta-1,3-diene-2,4-diamine is sourced from PubChem (CID 130338658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).