N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine

C10H13N — CID 90857049

IUPACN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine
SMILESC=NC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H13N/c1-10(2)7-4-5-9(11-3)6-8-10/h4-8H,3H2,1-2H3
InChIKeyHFHVJOGDLBZOMU-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.72
Rot. Bonds1

About N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine

N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine (PubChem CID 90857049) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine.

Molecular Properties

Compound NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine
PubChem CID90857049
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine
SMILESC=NC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H13N/c1-10(2)7-4-5-9(11-3)6-8-10/h4-8H,3H2,1-2H3
InChIKeyHFHVJOGDLBZOMU-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-[4-fluoro-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-yl]methanimine
CID 135128525
N-[(3E,5E)-4-[(E)-2-fluoroethenyl]hepta-1,3,5-trien-3-yl]methanimine
CID 144360493
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
3,3,7-Trimethylazepine
CID 90884929
3-Isocyanato-7,7-dimethylcyclohepta-1,3,5-triene
CID 91127501
7-Ethyl-3,3-dimethylazepine
CID 91365454
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
CID 118616451
N-(5-ethenylocta-2,4,6-trien-4-yl)methanimine
CID 123154101
N-(2-prop-1-enylcyclohepta-1,3,4,6-tetraen-1-yl)methanimine
CID 123203158

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine?
The IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine (CID 90857049) is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine.
What is the SMILES notation for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine?
The canonical SMILES for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine is C=NC1=CC=CC(C)(C)C=C1.
What is the InChIKey of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine?
The InChIKey is HFHVJOGDLBZOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-10(2)7-4-5-9(11-3)6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine?
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine has a molecular weight of 147.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanimine is sourced from PubChem (CID 90857049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).