N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine

C11H19N — CID 138528440

IUPACN-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine
SMILESC=NC(C)C1CC=C(C)CCC1
InChIInChI=1S/C11H19N/c1-9-5-4-6-11(8-7-9)10(2)12-3/h7,10-11H,3-6,8H2,1-2H3
InChIKeyZXIDBWWEAXNFEM-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds2

About N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine

N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine (PubChem CID 138528440) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine.

Molecular Properties

Compound NameN-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine
PubChem CID138528440
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine
SMILESC=NC(C)C1CC=C(C)CCC1
InChIInChI=1S/C11H19N/c1-9-5-4-6-11(8-7-9)10(2)12-3/h7,10-11H,3-6,8H2,1-2H3
InChIKeyZXIDBWWEAXNFEM-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
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-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine?
The IUPAC name of N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine (CID 138528440) is N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine.
What is the SMILES notation for N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine?
The canonical SMILES for N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine is C=NC(C)C1CC=C(C)CCC1.
What is the InChIKey of N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine?
The InChIKey is ZXIDBWWEAXNFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-5-4-6-11(8-7-9)10(2)12-3/h7,10-11H,3-6,8H2,1-2H3.
What are the key properties of N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine?
N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine is sourced from PubChem (CID 138528440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).