N-hexylhex-2-en-1-imine

C12H23N — CID 139798185

IUPACN-hexylhex-2-en-1-imine
SMILESCCCC=C/C=N/CCCCCC
InChIInChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9,11H,3-6,8,10,12H2,1-2H3/b9-7?,13-11+
InChIKeyHLSARHWWNCPYIK-FURFBGFUSA-N
MW181.32 g/mol
LogP3.99
Rot. Bonds8

About N-hexylhex-2-en-1-imine

N-hexylhex-2-en-1-imine (PubChem CID 139798185) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-hexylhex-2-en-1-imine.

Molecular Properties

Compound NameN-hexylhex-2-en-1-imine
PubChem CID139798185
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-hexylhex-2-en-1-imine
SMILESCCCC=C/C=N/CCCCCC
InChIInChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9,11H,3-6,8,10,12H2,1-2H3/b9-7?,13-11+
InChIKeyHLSARHWWNCPYIK-FURFBGFUSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexylhex-2-en-1-imine?
The IUPAC name of N-hexylhex-2-en-1-imine (CID 139798185) is N-hexylhex-2-en-1-imine.
What is the SMILES notation for N-hexylhex-2-en-1-imine?
The canonical SMILES for N-hexylhex-2-en-1-imine is CCCC=C/C=N/CCCCCC.
What is the InChIKey of N-hexylhex-2-en-1-imine?
The InChIKey is HLSARHWWNCPYIK-FURFBGFUSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7,9,11H,3-6,8,10,12H2,1-2H3/b9-7?,13-11+.
What are the key properties of N-hexylhex-2-en-1-imine?
N-hexylhex-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhex-2-en-1-imine is sourced from PubChem (CID 139798185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).