(1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine

C8H15N3 — CID 130350695

IUPAC(1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine
SMILESC/C=N/C(CN)=C(C)/C=C\N
InChIInChI=1S/C8H15N3/c1-3-11-8(6-10)7(2)4-5-9/h3-5H,6,9-10H2,1-2H3/b5-4-,8-7+,11-3+
InChIKeyLRIWXRVPWUBJCZ-SFJJQLNNSA-N
MW153.23 g/mol
LogP0.78
Rot. Bonds3

About (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine

(1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine (PubChem CID 130350695) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine
PubChem CID130350695
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine
SMILESC/C=N/C(CN)=C(C)/C=C\N
InChIInChI=1S/C8H15N3/c1-3-11-8(6-10)7(2)4-5-9/h3-5H,6,9-10H2,1-2H3/b5-4-,8-7+,11-3+
InChIKeyLRIWXRVPWUBJCZ-SFJJQLNNSA-N
XLogP0.78
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.78
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 (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine?
The IUPAC name of (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine (CID 130350695) is (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine?
The canonical SMILES for (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine is C/C=N/C(CN)=C(C)/C=C\N.
What is the InChIKey of (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine?
The InChIKey is LRIWXRVPWUBJCZ-SFJJQLNNSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-11-8(6-10)7(2)4-5-9/h3-5H,6,9-10H2,1-2H3/b5-4-,8-7+,11-3+.
What are the key properties of (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine?
(1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-(ethylideneamino)-3-methylpenta-1,3-diene-1,5-diamine is sourced from PubChem (CID 130350695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).