2-[(1S)-cyclohex-3-en-1-yl]ethanimine

C8H13N — CID 145358492

IUPAC2-[(1S)-cyclohex-3-en-1-yl]ethanimine
SMILES[H]/N=C/C[C@@H]1CC=CCC1
InChIInChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h1-2,7-9H,3-6H2/b9-7+/t8-/m1/s1
InChIKeyITDWVUDEERVIHT-KGOFQHAKSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds2

About 2-[(1S)-cyclohex-3-en-1-yl]ethanimine

2-[(1S)-cyclohex-3-en-1-yl]ethanimine (PubChem CID 145358492) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-[(1S)-cyclohex-3-en-1-yl]ethanimine.

Molecular Properties

Compound Name2-[(1S)-cyclohex-3-en-1-yl]ethanimine
PubChem CID145358492
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-[(1S)-cyclohex-3-en-1-yl]ethanimine
SMILES[H]/N=C/C[C@@H]1CC=CCC1
InChIInChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h1-2,7-9H,3-6H2/b9-7+/t8-/m1/s1
InChIKeyITDWVUDEERVIHT-KGOFQHAKSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
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

(NE)-N-(2-cyclohex-3-en-1-ylethylidene)hydroxylamine
CID 13493706
2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine
CID 6179072
2-Bicyclo[2.2.1]hept-5-enylmethanimine
CID 18454328
7-Bicyclo[4.2.0]octa-3,5-dienylmethanimine
CID 57147783
1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
1-Bicyclo[2.2.1]hept-2-enylmethanimine
CID 88729991
(6Z,8Z)-4-propylundeca-6,8,10-trien-1-imine
CID 88960923
2-Cyclohex-2-en-1-ylethanimine
CID 89097602
2-(3,5-Dimethylcyclohex-3-en-1-yl)ethanimine
CID 89244763
2-(3,5-Dimethylcyclohex-3-en-1-yl)propan-1-imine
CID 89246740
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
(Z)-3-ethylhex-4-en-1-imine
CID 89750002

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclohex-3-en-1-yl]ethanimine?
The IUPAC name of 2-[(1S)-cyclohex-3-en-1-yl]ethanimine (CID 145358492) is 2-[(1S)-cyclohex-3-en-1-yl]ethanimine.
What is the SMILES notation for 2-[(1S)-cyclohex-3-en-1-yl]ethanimine?
The canonical SMILES for 2-[(1S)-cyclohex-3-en-1-yl]ethanimine is [H]/N=C/C[C@@H]1CC=CCC1.
What is the InChIKey of 2-[(1S)-cyclohex-3-en-1-yl]ethanimine?
The InChIKey is ITDWVUDEERVIHT-KGOFQHAKSA-N. The full InChI is InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h1-2,7-9H,3-6H2/b9-7+/t8-/m1/s1.
What are the key properties of 2-[(1S)-cyclohex-3-en-1-yl]ethanimine?
2-[(1S)-cyclohex-3-en-1-yl]ethanimine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclohex-3-en-1-yl]ethanimine is sourced from PubChem (CID 145358492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).