2-ethylidene-3-methylpent-3-en-1-imine

C8H13N — CID 123743137

IUPAC2-ethylidene-3-methylpent-3-en-1-imine
SMILES[H]/N=C/C(=CC)C(C)=CC
InChIInChI=1S/C8H13N/c1-4-7(3)8(5-2)6-9/h4-6,9H,1-3H3/b7-4?,8-5?,9-6+
InChIKeyPVEPUHBNXKDFFW-FKTNRCSFSA-N
MW123.20 g/mol
LogP2.55
Rot. Bonds2

About 2-ethylidene-3-methylpent-3-en-1-imine

2-ethylidene-3-methylpent-3-en-1-imine (PubChem CID 123743137) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-ethylidene-3-methylpent-3-en-1-imine.

Molecular Properties

Compound Name2-ethylidene-3-methylpent-3-en-1-imine
PubChem CID123743137
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-ethylidene-3-methylpent-3-en-1-imine
SMILES[H]/N=C/C(=CC)C(C)=CC
InChIInChI=1S/C8H13N/c1-4-7(3)8(5-2)6-9/h4-6,9H,1-3H3/b7-4?,8-5?,9-6+
InChIKeyPVEPUHBNXKDFFW-FKTNRCSFSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
4-methanimidoylhex-4-en-3-one
CID 155692065
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
CID 143255281
2-ethylidene-3-methylpent-3-enal
CID 23381845
[(1Z)-2-methanimidoyl-3-methylbuta-1,3-dienyl]-propan-2-ylazanium
CID 145192802
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3-methylpent-3-en-1-imine?
The IUPAC name of 2-ethylidene-3-methylpent-3-en-1-imine (CID 123743137) is 2-ethylidene-3-methylpent-3-en-1-imine.
What is the SMILES notation for 2-ethylidene-3-methylpent-3-en-1-imine?
The canonical SMILES for 2-ethylidene-3-methylpent-3-en-1-imine is [H]/N=C/C(=CC)C(C)=CC.
What is the InChIKey of 2-ethylidene-3-methylpent-3-en-1-imine?
The InChIKey is PVEPUHBNXKDFFW-FKTNRCSFSA-N. The full InChI is InChI=1S/C8H13N/c1-4-7(3)8(5-2)6-9/h4-6,9H,1-3H3/b7-4?,8-5?,9-6+.
What are the key properties of 2-ethylidene-3-methylpent-3-en-1-imine?
2-ethylidene-3-methylpent-3-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3-methylpent-3-en-1-imine is sourced from PubChem (CID 123743137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).