N-hexylhex-3-en-1-imine

C12H23N — CID 56985502

IUPACN-hexylhex-3-en-1-imine
SMILESCCCCCCN=CCC=CCC
InChIInChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7,11H,3-4,6,8-10,12H2,1-2H3
InChIKeyMPDRKNOGBRUXEP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.60
Rot. Bonds8

About N-hexylhex-3-en-1-imine

N-hexylhex-3-en-1-imine (PubChem CID 56985502) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-hexylhex-3-en-1-imine.

Molecular Properties

Compound NameN-hexylhex-3-en-1-imine
PubChem CID56985502
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-hexylhex-3-en-1-imine
SMILESCCCCCCN=CCC=CCC
InChIInChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7,11H,3-4,6,8-10,12H2,1-2H3
InChIKeyMPDRKNOGBRUXEP-UHFFFAOYSA-N
XLogP3.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity136

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.60
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
Azacyclotetradeca-1,8-diene
CID 129657727
(E)-N,N'-dipentylpent-2-ene-1,5-diimine
CID 19025926
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
1-Azacyclododeca-4,8,12-triene
CID 53824618
N,N'-dipentylpent-2-ene-1,5-diimine
CID 54354710
N-pentylhex-5-en-1-imine
CID 57013677
N-pentylpent-4-en-1-imine
CID 57181324
N-octadec-9-enylpropan-1-imine
CID 57249664
1-Azacyclopentadeca-12,15-diene
CID 67159553
1-Azacyclotetradeca-11,14-diene
CID 67377071
1-Azacyclotetradeca-7,14-diene
CID 68741577

Frequently Asked Questions

What is the IUPAC name of N-hexylhex-3-en-1-imine?
The IUPAC name of N-hexylhex-3-en-1-imine (CID 56985502) is N-hexylhex-3-en-1-imine.
What is the SMILES notation for N-hexylhex-3-en-1-imine?
The canonical SMILES for N-hexylhex-3-en-1-imine is CCCCCCN=CCC=CCC.
What is the InChIKey of N-hexylhex-3-en-1-imine?
The InChIKey is MPDRKNOGBRUXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h5,7,11H,3-4,6,8-10,12H2,1-2H3.
What are the key properties of N-hexylhex-3-en-1-imine?
N-hexylhex-3-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylhex-3-en-1-imine is sourced from PubChem (CID 56985502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).