5-ethyl-N-methylhepta-1,4-dien-3-imine

C10H17N — CID 126629138

IUPAC5-ethyl-N-methylhepta-1,4-dien-3-imine
SMILESC=C/C(C=C(CC)CC)=N\C
InChIInChI=1S/C10H17N/c1-5-9(6-2)8-10(7-3)11-4/h7-8H,3,5-6H2,1-2,4H3/b11-10+
InChIKeyNQMVEAHYHYMEPJ-ZHACJKMWSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds4

About 5-ethyl-N-methylhepta-1,4-dien-3-imine

5-ethyl-N-methylhepta-1,4-dien-3-imine (PubChem CID 126629138) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-ethyl-N-methylhepta-1,4-dien-3-imine.

Molecular Properties

Compound Name5-ethyl-N-methylhepta-1,4-dien-3-imine
PubChem CID126629138
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-ethyl-N-methylhepta-1,4-dien-3-imine
SMILESC=C/C(C=C(CC)CC)=N\C
InChIInChI=1S/C10H17N/c1-5-9(6-2)8-10(7-3)11-4/h7-8H,3,5-6H2,1-2,4H3/b11-10+
InChIKeyNQMVEAHYHYMEPJ-ZHACJKMWSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methylhepta-1,4-dien-3-imine?
The IUPAC name of 5-ethyl-N-methylhepta-1,4-dien-3-imine (CID 126629138) is 5-ethyl-N-methylhepta-1,4-dien-3-imine.
What is the SMILES notation for 5-ethyl-N-methylhepta-1,4-dien-3-imine?
The canonical SMILES for 5-ethyl-N-methylhepta-1,4-dien-3-imine is C=C/C(C=C(CC)CC)=N\C.
What is the InChIKey of 5-ethyl-N-methylhepta-1,4-dien-3-imine?
The InChIKey is NQMVEAHYHYMEPJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H17N/c1-5-9(6-2)8-10(7-3)11-4/h7-8H,3,5-6H2,1-2,4H3/b11-10+.
What are the key properties of 5-ethyl-N-methylhepta-1,4-dien-3-imine?
5-ethyl-N-methylhepta-1,4-dien-3-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methylhepta-1,4-dien-3-imine is sourced from PubChem (CID 126629138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).