N-(4-methylhex-3-en-2-yl)ethanimine

C9H17N — CID 123631160

IUPACN-(4-methylhex-3-en-2-yl)ethanimine
SMILESC/C=N/C(C)C=C(C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h6-7,9H,5H2,1-4H3/b8-7?,10-6+
InChIKeyUVYYVLKOBFTRDW-BNWZXCCZSA-N
MW139.24 g/mol
LogP2.82
Rot. Bonds3

About N-(4-methylhex-3-en-2-yl)ethanimine

N-(4-methylhex-3-en-2-yl)ethanimine (PubChem CID 123631160) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-(4-methylhex-3-en-2-yl)ethanimine.

Molecular Properties

Compound NameN-(4-methylhex-3-en-2-yl)ethanimine
PubChem CID123631160
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-(4-methylhex-3-en-2-yl)ethanimine
SMILESC/C=N/C(C)C=C(C)CC
InChIInChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h6-7,9H,5H2,1-4H3/b8-7?,10-6+
InChIKeyUVYYVLKOBFTRDW-BNWZXCCZSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.82
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

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CID 70417807
Bis-propylideneaniline
CID 129791915
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
4-Methyl-2-(3-methylbut-2-enylideneamino)pent-3-enenitrile
CID 589549
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
2,3-dimethyl-2H-pyrrole
CID 14938985
N-(4-methylpent-3-enyl)propan-2-imine
CID 20677101
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
2,4-dimethyl-2H-pyrrole
CID 23422197
4-Methyl-2,5-dihydropyridine
CID 56986892
4-Methyl-2,5-dihydropyridin-2-ylium
CID 57104481

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhex-3-en-2-yl)ethanimine?
The IUPAC name of N-(4-methylhex-3-en-2-yl)ethanimine (CID 123631160) is N-(4-methylhex-3-en-2-yl)ethanimine.
What is the SMILES notation for N-(4-methylhex-3-en-2-yl)ethanimine?
The canonical SMILES for N-(4-methylhex-3-en-2-yl)ethanimine is C/C=N/C(C)C=C(C)CC.
What is the InChIKey of N-(4-methylhex-3-en-2-yl)ethanimine?
The InChIKey is UVYYVLKOBFTRDW-BNWZXCCZSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8(3)7-9(4)10-6-2/h6-7,9H,5H2,1-4H3/b8-7?,10-6+.
What are the key properties of N-(4-methylhex-3-en-2-yl)ethanimine?
N-(4-methylhex-3-en-2-yl)ethanimine has a molecular weight of 139.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhex-3-en-2-yl)ethanimine is sourced from PubChem (CID 123631160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).