(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine

C9H15N — CID 118534601

IUPAC(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C(\C=C/C)CC
InChIInChI=1S/C9H15N/c1-4-6-9(5-2)8(3)7-10/h4,6-7,10H,5H2,1-3H3/b6-4-,9-8-,10-7+
InChIKeyRJDWNSXYEVQELS-CAVLHFCBSA-N
MW137.23 g/mol
LogP2.94
Rot. Bonds3

About (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine

(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine (PubChem CID 118534601) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine
PubChem CID118534601
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C(\C=C/C)CC
InChIInChI=1S/C9H15N/c1-4-6-9(5-2)8(3)7-10/h4,6-7,10H,5H2,1-3H3/b6-4-,9-8-,10-7+
InChIKeyRJDWNSXYEVQELS-CAVLHFCBSA-N
XLogP2.94
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine (CID 118534601) is (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine is [H]/N=C/C(C)=C(\C=C/C)CC.
What is the InChIKey of (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine?
The InChIKey is RJDWNSXYEVQELS-CAVLHFCBSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(5-2)8(3)7-10/h4,6-7,10H,5H2,1-3H3/b6-4-,9-8-,10-7+.
What are the key properties of (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine?
(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-ethyl-2-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118534601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).