N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine

C11H19N — CID 167005140

IUPACN-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine
SMILESC=NC1C(C)CCC=C(C)C1C
InChIInChI=1S/C11H19N/c1-8-6-5-7-9(2)11(12-4)10(8)3/h6,9-11H,4-5,7H2,1-3H3
InChIKeySHJNBSFAJZUPBZ-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds1

About N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine

N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine (PubChem CID 167005140) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine
PubChem CID167005140
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine
SMILESC=NC1C(C)CCC=C(C)C1C
InChIInChI=1S/C11H19N/c1-8-6-5-7-9(2)11(12-4)10(8)3/h6,9-11H,4-5,7H2,1-3H3
InChIKeySHJNBSFAJZUPBZ-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine?
The IUPAC name of N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine (CID 167005140) is N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine.
What is the SMILES notation for N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine?
The canonical SMILES for N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine is C=NC1C(C)CCC=C(C)C1C.
What is the InChIKey of N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine?
The InChIKey is SHJNBSFAJZUPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8-6-5-7-9(2)11(12-4)10(8)3/h6,9-11H,4-5,7H2,1-3H3.
What are the key properties of N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine?
N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,7-trimethylcyclohept-3-en-1-yl)methanimine is sourced from PubChem (CID 167005140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).