N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine

C10H13N — CID 58220554

IUPACN,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine
SMILESC=C1C(C)=CC(=NC)C=C1C
InChIInChI=1S/C10H13N/c1-7-5-10(11-4)6-8(2)9(7)3/h5-6H,3H2,1-2,4H3
InChIKeyMMCQPJONBNIIPX-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds

About N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine

N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine (PubChem CID 58220554) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine
PubChem CID58220554
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine
SMILESC=C1C(C)=CC(=NC)C=C1C
InChIInChI=1S/C10H13N/c1-7-5-10(11-4)6-8(2)9(7)3/h5-6H,3H2,1-2,4H3
InChIKeyMMCQPJONBNIIPX-UHFFFAOYSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(3E)-4-fluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 170019336
4-fluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 170254474
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
1-(4-fluorocyclohepta-1,3,5,6-tetraen-1-yl)-N-methylethanimine
CID 143372715
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
N,2-dimethyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 12553590
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The IUPAC name of N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine (CID 58220554) is N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The canonical SMILES for N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine is C=C1C(C)=CC(=NC)C=C1C.
What is the InChIKey of N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
The InChIKey is MMCQPJONBNIIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-7-5-10(11-4)6-8(2)9(7)3/h5-6H,3H2,1-2,4H3.
What are the key properties of N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine?
N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine has a molecular weight of 147.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-methylidenecyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 58220554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).