1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine

C11H17N — CID 148835198

IUPAC1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine
SMILESCCC1C=CC=CC1/C(C)=N/C
InChIInChI=1S/C11H17N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h5-8,10-11H,4H2,1-3H3/b12-9+
InChIKeyOULNNWVTIQYCNA-FMIVXFBMSA-N
MW163.26 g/mol
LogP2.85
Rot. Bonds2

About 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine

1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine (PubChem CID 148835198) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine.

Molecular Properties

Compound Name1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine
PubChem CID148835198
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine
SMILESCCC1C=CC=CC1/C(C)=N/C
InChIInChI=1S/C11H17N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h5-8,10-11H,4H2,1-3H3/b12-9+
InChIKeyOULNNWVTIQYCNA-FMIVXFBMSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
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 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine?
The IUPAC name of 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine (CID 148835198) is 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine.
What is the SMILES notation for 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine?
The canonical SMILES for 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine is CCC1C=CC=CC1/C(C)=N/C.
What is the InChIKey of 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine?
The InChIKey is OULNNWVTIQYCNA-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10-7-5-6-8-11(10)9(2)12-3/h5-8,10-11H,4H2,1-3H3/b12-9+.
What are the key properties of 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine?
1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine has a molecular weight of 163.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylcyclohexa-2,4-dien-1-yl)-N-methylethanimine is sourced from PubChem (CID 148835198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).