N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine

C12H15N — CID 123147504

IUPACN-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C=C(C)CC
InChIInChI=1S/C12H15N/c1-4-10(2)9-13-12-8-6-5-7-11(12)3/h5-9H,3-4H2,1-2H3/b10-9?,13-12+
InChIKeyLYNLHFBRPSSRHH-BMSCJNEBSA-N
MW173.26 g/mol
LogP3.42
Rot. Bonds2

About N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine

N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 123147504) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID123147504
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C/C1=N\C=C(C)CC
InChIInChI=1S/C12H15N/c1-4-10(2)9-13-12-8-6-5-7-11(12)3/h5-9H,3-4H2,1-2H3/b10-9?,13-12+
InChIKeyLYNLHFBRPSSRHH-BMSCJNEBSA-N
XLogP3.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.42
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 N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine (CID 123147504) is N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC=C/C1=N\C=C(C)CC.
What is the InChIKey of N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is LYNLHFBRPSSRHH-BMSCJNEBSA-N. The full InChI is InChI=1S/C12H15N/c1-4-10(2)9-13-12-8-6-5-7-11(12)3/h5-9H,3-4H2,1-2H3/b10-9?,13-12+.
What are the key properties of N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine?
N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 173.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-1-enyl)-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 123147504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).