(2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine

C12H17N — CID 143043506

IUPAC(2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine
SMILESC/C=C1C(=N\CC)\C=CC2(C)CC\12
InChIInChI=1S/C12H17N/c1-4-9-10-8-12(10,3)7-6-11(9)13-5-2/h4,6-7,10H,5,8H2,1-3H3/b9-4-,13-11+
InChIKeyICZXVHRXTWRBEU-YDMFTTSLSA-N
MW175.27 g/mol
LogP2.99
Rot. Bonds1

About (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine

(2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine (PubChem CID 143043506) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine
PubChem CID143043506
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine
SMILESC/C=C1C(=N\CC)\C=CC2(C)CC\12
InChIInChI=1S/C12H17N/c1-4-9-10-8-12(10,3)7-6-11(9)13-5-2/h4,6-7,10H,5,8H2,1-3H3/b9-4-,13-11+
InChIKeyICZXVHRXTWRBEU-YDMFTTSLSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.99
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

Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
N,2,5,5-tetramethylcyclohex-2-en-1-imine
CID 86038796
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
6-tert-butyl-5-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 20752812
N,3,5,5-tetramethylcyclohex-2-en-1-imine
CID 70518167
7-tert-butyl-4-methyl-3-propan-2-yl-3,4-dihydro-2H-azepine
CID 90924955
2-cyclopropyl-N,4,4-trimethylcyclohepta-2,6-dien-1-imine
CID 91115506
4,4,5-trimethyl-6-[(Z)-prop-1-enyl]-3,5-dihydro-2H-pyridine
CID 91138716
5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine
CID 123214256
N-ethyl-5,6-dimethylcyclohex-2-en-1-imine
CID 123422569

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine?
The IUPAC name of (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine (CID 143043506) is (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine.
What is the SMILES notation for (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine?
The canonical SMILES for (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine is C/C=C1C(=N\CC)\C=CC2(C)CC\12.
What is the InChIKey of (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine?
The InChIKey is ICZXVHRXTWRBEU-YDMFTTSLSA-N. The full InChI is InChI=1S/C12H17N/c1-4-9-10-8-12(10,3)7-6-11(9)13-5-2/h4,6-7,10H,5,8H2,1-3H3/b9-4-,13-11+.
What are the key properties of (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine?
(2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine has a molecular weight of 175.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine is sourced from PubChem (CID 143043506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).