6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine

C13H17N — CID 90959943

IUPAC6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine
SMILESC=C(CC(C)C)/N=C1\C=CC=CC1=C
InChIInChI=1S/C13H17N/c1-10(2)9-12(4)14-13-8-6-5-7-11(13)3/h5-8,10H,3-4,9H2,1-2H3/b14-13+
InChIKeyAZSRELQOVXQJTA-BUHFOSPRSA-N
MW187.29 g/mol
LogP3.67
Rot. Bonds3

About 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine

6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine (PubChem CID 90959943) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine
PubChem CID90959943
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine
SMILESC=C(CC(C)C)/N=C1\C=CC=CC1=C
InChIInChI=1S/C13H17N/c1-10(2)9-12(4)14-13-8-6-5-7-11(13)3/h5-8,10H,3-4,9H2,1-2H3/b14-13+
InChIKeyAZSRELQOVXQJTA-BUHFOSPRSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.67
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 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine (CID 90959943) is 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine is C=C(CC(C)C)/N=C1\C=CC=CC1=C.
What is the InChIKey of 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine?
The InChIKey is AZSRELQOVXQJTA-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H17N/c1-10(2)9-12(4)14-13-8-6-5-7-11(13)3/h5-8,10H,3-4,9H2,1-2H3/b14-13+.
What are the key properties of 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine?
6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine has a molecular weight of 187.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-N-(4-methylpent-1-en-2-yl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 90959943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).