N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine

C10H15N — CID 123478687

IUPACN-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine
SMILESC=NC1=C(C)C(C)CCC=C1
InChIInChI=1S/C10H15N/c1-8-6-4-5-7-10(11-3)9(8)2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPFRRPPMYWNRREV-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds1

About N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine

N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine (PubChem CID 123478687) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine
PubChem CID123478687
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine
SMILESC=NC1=C(C)C(C)CCC=C1
InChIInChI=1S/C10H15N/c1-8-6-4-5-7-10(11-3)9(8)2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPFRRPPMYWNRREV-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
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-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
CID 91443092
N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine
CID 130183308
N-[(2Z,4Z)-4-butan-2-ylhepta-2,4,6-trien-2-yl]methanimine
CID 132185821
N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine
CID 134172267
N-[(2E,4E)-5-methylnona-2,4-dien-4-yl]methanimine
CID 134464155
N-[(2Z,4Z)-5,8,8-trimethylnona-2,4-dien-4-yl]methanimine
CID 135280943
N-[1-(3-chloro-6-methylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
CID 137401020
N-[(E)-6-methyl-4-methylidenehept-2-en-2-yl]methanimine
CID 138567798
N-[(E,5Z)-5-ethylidene-7-methyloct-3-en-3-yl]methanimine
CID 138567807
N-[2-[(Z)-prop-1-enyl]-1-bicyclo[4.1.0]hepta-2,4-dienyl]methanimine
CID 141930969
N-(5-methyl-2-prop-1-en-2-ylcyclohepta-1,3,6-trien-1-yl)methanimine
CID 141959502
N-[(2Z,4Z)-6-ethyl-4-propan-2-ylnona-2,4-dien-5-yl]methanimine
CID 143173588

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine?
The IUPAC name of N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine (CID 123478687) is N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine.
What is the SMILES notation for N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine?
The canonical SMILES for N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine is C=NC1=C(C)C(C)CCC=C1.
What is the InChIKey of N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine?
The InChIKey is PFRRPPMYWNRREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-6-4-5-7-10(11-3)9(8)2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine?
N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine is sourced from PubChem (CID 123478687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).