N-hexyl-4-methylpent-1-en-3-imine

C12H23N — CID 123163517

IUPACN-hexyl-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\CCCCCC)C(C)C
InChIInChI=1S/C12H23N/c1-5-7-8-9-10-13-12(6-2)11(3)4/h6,11H,2,5,7-10H2,1,3-4H3/b13-12+
InChIKeySTXJNCOEFVVTNI-OUKQBFOZSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds7

About N-hexyl-4-methylpent-1-en-3-imine

N-hexyl-4-methylpent-1-en-3-imine (PubChem CID 123163517) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-hexyl-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-hexyl-4-methylpent-1-en-3-imine
PubChem CID123163517
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-hexyl-4-methylpent-1-en-3-imine
SMILESC=C/C(=N\CCCCCC)C(C)C
InChIInChI=1S/C12H23N/c1-5-7-8-9-10-13-12(6-2)11(3)4/h6,11H,2,5,7-10H2,1,3-4H3/b13-12+
InChIKeySTXJNCOEFVVTNI-OUKQBFOZSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
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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Related Compounds

2-Ethenyl-1-azacycloundecene
CID 118247983
N,4-dimethylhex-1-en-3-imine
CID 123150138
N-ethyloct-1-en-3-imine
CID 123343256
(5Z,7E)-N-hexyl-4-methylundeca-1,5,7,9-tetraen-3-imine
CID 123415048
N-hexyl-4-methylhepta-1,6-dien-3-imine
CID 123453605
N-ethyl-3-methylhex-5-en-2-imine
CID 123547564
N-(2-cyclopropylethyl)-4-methylpent-1-en-3-imine
CID 123592884
4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
N,4-dimethylhept-1-en-3-imine
CID 123647931
N-cyclohexylpent-1-en-3-imine
CID 123703101
(4Z)-N-hexyl-2-methylnona-4,7-dien-3-imine
CID 123860569
N-(3-methylpentan-2-yl)but-3-en-2-imine
CID 123925388

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-methylpent-1-en-3-imine?
The IUPAC name of N-hexyl-4-methylpent-1-en-3-imine (CID 123163517) is N-hexyl-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-hexyl-4-methylpent-1-en-3-imine?
The canonical SMILES for N-hexyl-4-methylpent-1-en-3-imine is C=C/C(=N\CCCCCC)C(C)C.
What is the InChIKey of N-hexyl-4-methylpent-1-en-3-imine?
The InChIKey is STXJNCOEFVVTNI-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-8-9-10-13-12(6-2)11(3)4/h6,11H,2,5,7-10H2,1,3-4H3/b13-12+.
What are the key properties of N-hexyl-4-methylpent-1-en-3-imine?
N-hexyl-4-methylpent-1-en-3-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-methylpent-1-en-3-imine is sourced from PubChem (CID 123163517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).