1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine

C12H21N — CID 123486090

IUPAC1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine
SMILES[H]/N=C(\C)C1CCC=C(C(C)C)CC1
InChIInChI=1S/C12H21N/c1-9(2)11-5-4-6-12(8-7-11)10(3)13/h5,9,12-13H,4,6-8H2,1-3H3/b13-10+
InChIKeyJJAWBLOLDANASZ-JLHYYAGUSA-N
MW179.31 g/mol
LogP3.80
Rot. Bonds2

About 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine

1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine (PubChem CID 123486090) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine
PubChem CID123486090
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine
SMILES[H]/N=C(\C)C1CCC=C(C(C)C)CC1
InChIInChI=1S/C12H21N/c1-9(2)11-5-4-6-12(8-7-11)10(3)13/h5,9,12-13H,4,6-8H2,1-3H3/b13-10+
InChIKeyJJAWBLOLDANASZ-JLHYYAGUSA-N
XLogP3.80
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
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

3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
1-Cyclohexyl-imino-2-butene
CID 129765474
3,5-Dimethylcyclohex-2-en-1-imine
CID 12562472
2-Ethyl-4-methylcyclohex-2-en-1-imine
CID 57087859
2-Cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 58555275
5-Hexylbicyclo[2.2.1]hept-5-en-2-imine
CID 68426061
2-Heptan-2-ylcyclohexa-2,5-diene-1,4-diimine
CID 69973378
(4R)-2-[(1S)-cyclohex-2-en-1-yl]-2,4-dimethylhexan-3-imine
CID 87279105
(4S)-2-cyclohex-2-en-1-yl-2,4-dimethylhexan-3-imine
CID 87279106
(6Z)-2-ethyl-6-[(Z)-2-ethylbut-2-enylidene]cyclohexan-1-imine
CID 87690054

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine?
The IUPAC name of 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine (CID 123486090) is 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine.
What is the SMILES notation for 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine?
The canonical SMILES for 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine is [H]/N=C(\C)C1CCC=C(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine?
The InChIKey is JJAWBLOLDANASZ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)11-5-4-6-12(8-7-11)10(3)13/h5,9,12-13H,4,6-8H2,1-3H3/b13-10+.
What are the key properties of 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine?
1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine has a molecular weight of 179.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohept-4-en-1-yl)ethanimine is sourced from PubChem (CID 123486090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).