N-hex-3-en-3-ylethanimine

C8H15N — CID 123866272

IUPACN-hex-3-en-3-ylethanimine
SMILESC/C=N/C(=CCC)CC
InChIInChI=1S/C8H15N/c1-4-7-8(5-2)9-6-3/h6-7H,4-5H2,1-3H3/b8-7?,9-6+
InChIKeyWHDQWHHTTVYRKW-JTHIGBGISA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds3

About N-hex-3-en-3-ylethanimine

N-hex-3-en-3-ylethanimine (PubChem CID 123866272) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-hex-3-en-3-ylethanimine.

Molecular Properties

Compound NameN-hex-3-en-3-ylethanimine
PubChem CID123866272
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-hex-3-en-3-ylethanimine
SMILESC/C=N/C(=CCC)CC
InChIInChI=1S/C8H15N/c1-4-7-8(5-2)9-6-3/h6-7H,4-5H2,1-3H3/b8-7?,9-6+
InChIKeyWHDQWHHTTVYRKW-JTHIGBGISA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-yl)ethanimine
CID 91406675
3-Fluoro-6-methyl-3,4-dihydropyridine
CID 89071510
6-Ethyl-4-fluoro-3,4-dihydropyridine
CID 143491679
2-fluoro-N-[(Z)-4-methylpent-2-en-3-yl]prop-2-en-1-imine
CID 148963729
(Z)-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
CID 166528353
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pent-2-en-1-imine
CID 169977725
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]but-2-en-1-imine
CID 170098977
(Z,E)-N-[(E)-1-fluoroprop-1-enyl]pent-2-en-1-imine
CID 171558229
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]ethanimine
CID 177000151
N-[(2E)-2-fluorohexa-2,5-dien-3-yl]propan-1-imine
CID 142913329
(E)-2-fluoro-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine
CID 168972321
3,5-dimethyl-3H-pyrrole
CID 10270971

Frequently Asked Questions

What is the IUPAC name of N-hex-3-en-3-ylethanimine?
The IUPAC name of N-hex-3-en-3-ylethanimine (CID 123866272) is N-hex-3-en-3-ylethanimine.
What is the SMILES notation for N-hex-3-en-3-ylethanimine?
The canonical SMILES for N-hex-3-en-3-ylethanimine is C/C=N/C(=CCC)CC.
What is the InChIKey of N-hex-3-en-3-ylethanimine?
The InChIKey is WHDQWHHTTVYRKW-JTHIGBGISA-N. The full InChI is InChI=1S/C8H15N/c1-4-7-8(5-2)9-6-3/h6-7H,4-5H2,1-3H3/b8-7?,9-6+.
What are the key properties of N-hex-3-en-3-ylethanimine?
N-hex-3-en-3-ylethanimine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-3-en-3-ylethanimine is sourced from PubChem (CID 123866272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).