N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine

C13H21N — CID 135295414

IUPACN-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine
SMILESC=NC1CC(CC)C=C(C)C=C1CC
InChIInChI=1S/C13H21N/c1-5-11-7-10(3)8-12(6-2)13(9-11)14-4/h7-8,11,13H,4-6,9H2,1-3H3
InChIKeyYWJKRPHZOCYXLY-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.77
Rot. Bonds3

About N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine

N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine (PubChem CID 135295414) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine
PubChem CID135295414
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine
SMILESC=NC1CC(CC)C=C(C)C=C1CC
InChIInChI=1S/C13H21N/c1-5-11-7-10(3)8-12(6-2)13(9-11)14-4/h7-8,11,13H,4-6,9H2,1-3H3
InChIKeyYWJKRPHZOCYXLY-UHFFFAOYSA-N
XLogP3.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.77
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-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine?
The IUPAC name of N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine (CID 135295414) is N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine?
The canonical SMILES for N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine is C=NC1CC(CC)C=C(C)C=C1CC.
What is the InChIKey of N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine?
The InChIKey is YWJKRPHZOCYXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-11-7-10(3)8-12(6-2)13(9-11)14-4/h7-8,11,13H,4-6,9H2,1-3H3.
What are the key properties of N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine?
N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine has a molecular weight of 191.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethyl-4-methylcyclohepta-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 135295414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).