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

C8H11N — CID 142944132

IUPAC(E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine
SMILESC#C/C(=C/C=N/C)CC
InChIInChI=1S/C8H11N/c1-4-8(5-2)6-7-9-3/h1,6-7H,5H2,2-3H3/b8-6-,9-7+
InChIKeyCDNWSFIXTLMLRU-MKKAVFGOSA-N
MW121.18 g/mol
LogP1.66
Rot. Bonds2

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

(E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine (PubChem CID 142944132) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine.

Molecular Properties

Compound Name(E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine
PubChem CID142944132
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine
SMILESC#C/C(=C/C=N/C)CC
InChIInChI=1S/C8H11N/c1-4-8(5-2)6-7-9-3/h1,6-7H,5H2,2-3H3/b8-6-,9-7+
InChIKeyCDNWSFIXTLMLRU-MKKAVFGOSA-N
XLogP1.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.66
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

(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843
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)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
CID 89370186
(E)-N-ethyl-3-methylpent-2-en-1-imine
CID 89570012
(E)-N,4-dimethylhex-3-en-5-yn-2-imine
CID 91053481
N,3-dimethylpent-2-en-1-imine
CID 91072699
3-ethyl-N-methylpent-2-en-1-imine
CID 91211205
2-ethyl-N-methylpent-2-en-1-imine
CID 91245510

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine?
The IUPAC name of (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine (CID 142944132) is (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine.
What is the SMILES notation for (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine?
The canonical SMILES for (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine is C#C/C(=C/C=N/C)CC.
What is the InChIKey of (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine?
The InChIKey is CDNWSFIXTLMLRU-MKKAVFGOSA-N. The full InChI is InChI=1S/C8H11N/c1-4-8(5-2)6-7-9-3/h1,6-7H,5H2,2-3H3/b8-6-,9-7+.
What are the key properties of (E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine?
(E)-3-ethyl-N-methylpent-2-en-4-yn-1-imine has a molecular weight of 121.18 g/mol, XLogP of 1.66, 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-methylpent-2-en-4-yn-1-imine is sourced from PubChem (CID 142944132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).