N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine

C9H11N — CID 12553590

IUPACN,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C(C)/C1=N\C
InChIInChI=1S/C9H11N/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1H2,2-3H3/b10-9-
InChIKeyIWJLQIBHGDOKQD-KTKRTIGZSA-N
MW133.19 g/mol
LogP2.13
Rot. Bonds

About N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine

N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 12553590) has the molecular formula C9H11N and a molecular weight of 133.19 g/mol. Its IUPAC name is N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID12553590
Molecular FormulaC9H11N
Molecular Weight133.19 g/mol
Exact Mass133.09
IUPAC NameN,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
SMILESC=C1C=CC=C(C)/C1=N\C
InChIInChI=1S/C9H11N/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1H2,2-3H3/b10-9-
InChIKeyIWJLQIBHGDOKQD-KTKRTIGZSA-N
XLogP2.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 52.13
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-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine (CID 12553590) is N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine is C=C1C=CC=C(C)/C1=N\C.
What is the InChIKey of N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is IWJLQIBHGDOKQD-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H11N/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1H2,2-3H3/b10-9-.
What are the key properties of N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine?
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 133.19 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 12553590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).