N-(3-ethylnon-3-en-4-yl)methanimine

C12H23N — CID 86738400

IUPACN-(3-ethylnon-3-en-4-yl)methanimine
SMILESC=NC(CCCCC)=C(CC)CC
InChIInChI=1S/C12H23N/c1-5-8-9-10-12(13-4)11(6-2)7-3/h4-10H2,1-3H3
InChIKeyMQEHSUPKXJAOLS-UHFFFAOYSA-N
MW181.32 g/mol
LogP4.34
Rot. Bonds7

About N-(3-ethylnon-3-en-4-yl)methanimine

N-(3-ethylnon-3-en-4-yl)methanimine (PubChem CID 86738400) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(3-ethylnon-3-en-4-yl)methanimine.

Molecular Properties

Compound NameN-(3-ethylnon-3-en-4-yl)methanimine
PubChem CID86738400
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(3-ethylnon-3-en-4-yl)methanimine
SMILESC=NC(CCCCC)=C(CC)CC
InChIInChI=1S/C12H23N/c1-5-8-9-10-12(13-4)11(6-2)7-3/h4-10H2,1-3H3
InChIKeyMQEHSUPKXJAOLS-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
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

N-[(Z)-7-methyldodec-6-en-6-yl]methanimine
CID 88555446
N-(3-methylhept-2-en-2-yl)methanimine
CID 123226478
N-(2-methylcyclohexen-1-yl)methanimine
CID 123810516
methyl N-(3-methyloct-3-en-4-yl)methanimidate
CID 124025200
N-[(Z)-4-methylhept-3-en-3-yl]methanimine
CID 126639717
N-[(4Z)-2,4-dimethyldeca-1,4-dien-5-yl]methanimine
CID 130378022
N-[(Z)-8-methylidenedec-4-en-4-yl]methanimine
CID 132050731
N-(6,7-dimethyloct-6-en-2-yl)methanimine
CID 132050909
methyl N-(2-methylhept-2-en-3-yl)methanimidate
CID 132174325
N-(6,7-dimethyloct-6-en-3-yl)methanimine;ethane
CID 141943577
N-[(Z)-3,6-dimethylhept-2-en-2-yl]methanimine
CID 142400707
N-(1-cyclohexylideneethyl)methanimine
CID 142430546

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylnon-3-en-4-yl)methanimine?
The IUPAC name of N-(3-ethylnon-3-en-4-yl)methanimine (CID 86738400) is N-(3-ethylnon-3-en-4-yl)methanimine.
What is the SMILES notation for N-(3-ethylnon-3-en-4-yl)methanimine?
The canonical SMILES for N-(3-ethylnon-3-en-4-yl)methanimine is C=NC(CCCCC)=C(CC)CC.
What is the InChIKey of N-(3-ethylnon-3-en-4-yl)methanimine?
The InChIKey is MQEHSUPKXJAOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-8-9-10-12(13-4)11(6-2)7-3/h4-10H2,1-3H3.
What are the key properties of N-(3-ethylnon-3-en-4-yl)methanimine?
N-(3-ethylnon-3-en-4-yl)methanimine has a molecular weight of 181.32 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylnon-3-en-4-yl)methanimine is sourced from PubChem (CID 86738400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).