(1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine

C8H14N2 — CID 177316289

IUPAC(1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine
SMILESC/C=C(N)/C(C)=C/N=C/C
InChIInChI=1S/C8H14N2/c1-4-8(9)7(3)6-10-5-2/h4-6H,9H2,1-3H3/b7-6+,8-4-,10-5+
InChIKeyADZKCKLEZHCSPH-XIOAJFKVSA-N
MW138.21 g/mol
LogP1.84
Rot. Bonds2

About (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine

(1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine (PubChem CID 177316289) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine
PubChem CID177316289
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine
SMILESC/C=C(N)/C(C)=C/N=C/C
InChIInChI=1S/C8H14N2/c1-4-8(9)7(3)6-10-5-2/h4-6H,9H2,1-3H3/b7-6+,8-4-,10-5+
InChIKeyADZKCKLEZHCSPH-XIOAJFKVSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine?
The IUPAC name of (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine (CID 177316289) is (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine.
What is the SMILES notation for (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine?
The canonical SMILES for (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine is C/C=C(N)/C(C)=C/N=C/C.
What is the InChIKey of (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine?
The InChIKey is ADZKCKLEZHCSPH-XIOAJFKVSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-8(9)7(3)6-10-5-2/h4-6H,9H2,1-3H3/b7-6+,8-4-,10-5+.
What are the key properties of (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine?
(1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine has a molecular weight of 138.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(ethylideneamino)-2-methylpenta-1,3-dien-3-amine is sourced from PubChem (CID 177316289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).