N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine

C10H15N — CID 123511738

IUPACN-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
SMILESC=NC1C2CC=C(CC)CC21
InChIInChI=1S/C10H15N/c1-3-7-4-5-8-9(6-7)10(8)11-2/h4,8-10H,2-3,5-6H2,1H3
InChIKeyOXHABJSHSRKRFG-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.43
Rot. Bonds2

About N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine

N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine (PubChem CID 123511738) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine.

Molecular Properties

Compound NameN-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
PubChem CID123511738
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine
SMILESC=NC1C2CC=C(CC)CC21
InChIInChI=1S/C10H15N/c1-3-7-4-5-8-9(6-7)10(8)11-2/h4,8-10H,2-3,5-6H2,1H3
InChIKeyOXHABJSHSRKRFG-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.43
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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Related Compounds

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CID 91145112
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N-[2-methyl-3-[(E)-2-propylhex-1-enyl]cyclopropyl]methanimine
CID 134332940
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CID 135295414
N-[1-(4-methylcyclohept-3-en-1-yl)ethyl]methanimine
CID 138528440
N-[(1S,2S)-2-methylcyclohept-3-en-1-yl]methanimine
CID 163656481
N-[6-[2-[(1E)-1-(2-ethylcyclopropylidene)propan-2-yl]cyclopropyl]-3,4-dimethylhexan-2-yl]methanimine
CID 163808808
N-[4-[2-(4-cyclopropylpent-4-enyl)cyclopropyl]cyclohex-3-en-1-yl]methanimine
CID 163930533
N-[2-(3-butylcyclopropen-1-yl)ethyl]methanimine
CID 163978246

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine?
The IUPAC name of N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine (CID 123511738) is N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine.
What is the SMILES notation for N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine?
The canonical SMILES for N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine is C=NC1C2CC=C(CC)CC21.
What is the InChIKey of N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine?
The InChIKey is OXHABJSHSRKRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-7-4-5-8-9(6-7)10(8)11-2/h4,8-10H,2-3,5-6H2,1H3.
What are the key properties of N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine?
N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine has a molecular weight of 149.24 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-7-bicyclo[4.1.0]hept-3-enyl)methanimine is sourced from PubChem (CID 123511738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).