(E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine

C9H13N — CID 143466341

IUPAC(E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine
SMILESCC#C/C(=C/C=N/C)CC
InChIInChI=1S/C9H13N/c1-4-6-9(5-2)7-8-10-3/h7-8H,5H2,1-3H3/b9-7+,10-8+
InChIKeyKJKADZKWCDWBGR-FIFLTTCUSA-N
MW135.21 g/mol
LogP2.05
Rot. Bonds2

About (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine

(E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine (PubChem CID 143466341) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine.

Molecular Properties

Compound Name(E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine
PubChem CID143466341
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine
SMILESCC#C/C(=C/C=N/C)CC
InChIInChI=1S/C9H13N/c1-4-6-9(5-2)7-8-10-3/h7-8H,5H2,1-3H3/b9-7+,10-8+
InChIKeyKJKADZKWCDWBGR-FIFLTTCUSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2,3-dihydropyridine
CID 53634680
(E)-4-fluoro-N,3-dimethylpent-2-en-1-imine
CID 144136554
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
5-methyl-3H-pyridin-1-ium
CID 57233424
N,3-dimethylhex-2-en-1-imine
CID 73829296
(2Z)-N-propyl-2-prop-2-ynylpenta-2,4-dien-1-imine
CID 88221938
(Z)-N,3-dimethylpent-2-en-1-imine
CID 88890782
(Z)-3-tert-butyl-N-methylpent-2-en-4-yn-1-imine
CID 89016770
(E)-N,3-dimethylpent-2-en-1-imine
CID 89181124
(Z)-N,4,4-trimethylpent-2-en-1-imine
CID 89227034
(2Z,4E)-N,4-dimethylhexa-2,4-dien-1-imine
CID 89258853
(2Z,4E,6E)-N,8-dimethylnona-2,4,6,8-tetraen-1-imine
CID 89324895

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine?
The IUPAC name of (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine (CID 143466341) is (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine.
What is the SMILES notation for (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine?
The canonical SMILES for (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine is CC#C/C(=C/C=N/C)CC.
What is the InChIKey of (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine?
The InChIKey is KJKADZKWCDWBGR-FIFLTTCUSA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-9(5-2)7-8-10-3/h7-8H,5H2,1-3H3/b9-7+,10-8+.
What are the key properties of (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine?
(E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N-methylhex-2-en-4-yn-1-imine is sourced from PubChem (CID 143466341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).