2-hexan-3-ylhex-4-en-1-imine

C12H23N — CID 123865105

IUPAC2-hexan-3-ylhex-4-en-1-imine
SMILES[H]/N=C/C(CC=CC)C(CC)CCC
InChIInChI=1S/C12H23N/c1-4-7-9-12(10-13)11(6-3)8-5-2/h4,7,10-13H,5-6,8-9H2,1-3H3/b7-4?,13-10+
InChIKeyZXJRUQJOBGXUGW-CTERGKHCSA-N
MW181.32 g/mol
LogP4.04
Rot. Bonds7

About 2-hexan-3-ylhex-4-en-1-imine

2-hexan-3-ylhex-4-en-1-imine (PubChem CID 123865105) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-hexan-3-ylhex-4-en-1-imine.

Molecular Properties

Compound Name2-hexan-3-ylhex-4-en-1-imine
PubChem CID123865105
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-hexan-3-ylhex-4-en-1-imine
SMILES[H]/N=C/C(CC=CC)C(CC)CCC
InChIInChI=1S/C12H23N/c1-4-7-9-12(10-13)11(6-3)8-5-2/h4,7,10-13H,5-6,8-9H2,1-3H3/b7-4?,13-10+
InChIKeyZXJRUQJOBGXUGW-CTERGKHCSA-N
XLogP4.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 54.04
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

2-Methyldec-3-en-1-imine
CID 57110449
1-(Cyclohex-3-en-1-yl)methanimine
CID 57306453
3-Propan-2-ylpent-4-en-1-imine
CID 58352436
(5E,9E)-3-butyl-1-azacyclododeca-1,5,9-triene
CID 70595591
3-Butyl-1-azacyclododeca-1,5,9-triene
CID 70595592
(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
7-Ethyl-3-methyl-2-methylidenenon-6-en-1-imine
CID 89282931
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
5-Methyl-2-(2-methylbutan-2-yl)hex-4-en-1-imine
CID 89708391

Frequently Asked Questions

What is the IUPAC name of 2-hexan-3-ylhex-4-en-1-imine?
The IUPAC name of 2-hexan-3-ylhex-4-en-1-imine (CID 123865105) is 2-hexan-3-ylhex-4-en-1-imine.
What is the SMILES notation for 2-hexan-3-ylhex-4-en-1-imine?
The canonical SMILES for 2-hexan-3-ylhex-4-en-1-imine is [H]/N=C/C(CC=CC)C(CC)CCC.
What is the InChIKey of 2-hexan-3-ylhex-4-en-1-imine?
The InChIKey is ZXJRUQJOBGXUGW-CTERGKHCSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-9-12(10-13)11(6-3)8-5-2/h4,7,10-13H,5-6,8-9H2,1-3H3/b7-4?,13-10+.
What are the key properties of 2-hexan-3-ylhex-4-en-1-imine?
2-hexan-3-ylhex-4-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-ylhex-4-en-1-imine is sourced from PubChem (CID 123865105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).