N-hex-4-en-2-ylmethanimine

C7H13N — CID 123507410

IUPACN-hex-4-en-2-ylmethanimine
SMILESC=NC(C)CC=CC
InChIInChI=1S/C7H13N/c1-4-5-6-7(2)8-3/h4-5,7H,3,6H2,1-2H3
InChIKeyQSORREKPDICSIJ-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.04
Rot. Bonds3

About N-hex-4-en-2-ylmethanimine

N-hex-4-en-2-ylmethanimine (PubChem CID 123507410) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-hex-4-en-2-ylmethanimine.

Molecular Properties

Compound NameN-hex-4-en-2-ylmethanimine
PubChem CID123507410
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-hex-4-en-2-ylmethanimine
SMILESC=NC(C)CC=CC
InChIInChI=1S/C7H13N/c1-4-5-6-7(2)8-3/h4-5,7H,3,6H2,1-2H3
InChIKeyQSORREKPDICSIJ-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
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-Methyl-2,3-dihydropyridine
CID 21652564
N-[(Z)-4-fluorohex-2-enyl]methanimine
CID 167132193
N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine
CID 142913317
N-cyclohexa-2,5-dien-1-ylmethanimine
CID 316234
N-pent-3-en-2-ylmethanimine
CID 57104228
2-methyl-3,6-dihydro-2H-azepine
CID 68099620
(2S)-2-methyl-2,3-dihydropyridine
CID 70325960
N-[(Z)-2-methylpent-3-enyl]methanimine
CID 89189425
N-cyclohexa-2,4-dien-1-ylmethanimine
CID 89756894
N-pent-3-en-2-ylethanimine
CID 90880955
N-(3-methylpent-3-en-2-yl)methanimine
CID 91461208
N-[(4E)-hepta-4,6-dien-2-yl]methanimine
CID 118245240

Frequently Asked Questions

What is the IUPAC name of N-hex-4-en-2-ylmethanimine?
The IUPAC name of N-hex-4-en-2-ylmethanimine (CID 123507410) is N-hex-4-en-2-ylmethanimine.
What is the SMILES notation for N-hex-4-en-2-ylmethanimine?
The canonical SMILES for N-hex-4-en-2-ylmethanimine is C=NC(C)CC=CC.
What is the InChIKey of N-hex-4-en-2-ylmethanimine?
The InChIKey is QSORREKPDICSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-4-5-6-7(2)8-3/h4-5,7H,3,6H2,1-2H3.
What are the key properties of N-hex-4-en-2-ylmethanimine?
N-hex-4-en-2-ylmethanimine has a molecular weight of 111.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-4-en-2-ylmethanimine is sourced from PubChem (CID 123507410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).