(4-ethylcyclohexa-2,4-dien-1-yl)methanimine

C9H13N — CID 89404715

IUPAC(4-ethylcyclohexa-2,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1C=CC(CC)=CC1
InChIInChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-5,7,9-10H,2,6H2,1H3/b10-7+
InChIKeyAIFSILROPKFHIT-JXMROGBWSA-N
MW135.21 g/mol
LogP2.55
Rot. Bonds2

About (4-ethylcyclohexa-2,4-dien-1-yl)methanimine

(4-ethylcyclohexa-2,4-dien-1-yl)methanimine (PubChem CID 89404715) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (4-ethylcyclohexa-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound Name(4-ethylcyclohexa-2,4-dien-1-yl)methanimine
PubChem CID89404715
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(4-ethylcyclohexa-2,4-dien-1-yl)methanimine
SMILES[H]/N=C/C1C=CC(CC)=CC1
InChIInChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-5,7,9-10H,2,6H2,1H3/b10-7+
InChIKeyAIFSILROPKFHIT-JXMROGBWSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexa-2,4-dien-1-yl)methanimine?
The IUPAC name of (4-ethylcyclohexa-2,4-dien-1-yl)methanimine (CID 89404715) is (4-ethylcyclohexa-2,4-dien-1-yl)methanimine.
What is the SMILES notation for (4-ethylcyclohexa-2,4-dien-1-yl)methanimine?
The canonical SMILES for (4-ethylcyclohexa-2,4-dien-1-yl)methanimine is [H]/N=C/C1C=CC(CC)=CC1.
What is the InChIKey of (4-ethylcyclohexa-2,4-dien-1-yl)methanimine?
The InChIKey is AIFSILROPKFHIT-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h3-5,7,9-10H,2,6H2,1H3/b10-7+.
What are the key properties of (4-ethylcyclohexa-2,4-dien-1-yl)methanimine?
(4-ethylcyclohexa-2,4-dien-1-yl)methanimine has a molecular weight of 135.21 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 (4-ethylcyclohexa-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 89404715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).