N-methylhex-4-en-1-yn-3-imine

C7H9N — CID 123279994

IUPACN-methylhex-4-en-1-yn-3-imine
SMILESC#C/C(C=CC)=N\C
InChIInChI=1S/C7H9N/c1-4-6-7(5-2)8-3/h2,4,6H,1,3H3/b6-4?,8-7+
InChIKeyQKMGMVFJOAEOAJ-MPDFOIGASA-N
MW107.16 g/mol
LogP1.27
Rot. Bonds1

About N-methylhex-4-en-1-yn-3-imine

N-methylhex-4-en-1-yn-3-imine (PubChem CID 123279994) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-methylhex-4-en-1-yn-3-imine.

Molecular Properties

Compound NameN-methylhex-4-en-1-yn-3-imine
PubChem CID123279994
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-methylhex-4-en-1-yn-3-imine
SMILESC#C/C(C=CC)=N\C
InChIInChI=1S/C7H9N/c1-4-6-7(5-2)8-3/h2,4,6H,1,3H3/b6-4?,8-7+
InChIKeyQKMGMVFJOAEOAJ-MPDFOIGASA-N
XLogP1.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.27
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

prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 142439236
N-methylpent-3-en-2-imine
CID 15325554
N-methylcyclohexa-2,5-dien-1-imine
CID 20614487
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
(Z)-N-ethylpent-3-en-2-imine
CID 87420267
(Z)-N-methylhex-3-en-2-imine
CID 88993764
6-Prop-1-ynyl-2,3-dihydropyridine
CID 89208641
6-Ethynyl-2,3-dihydropyridine
CID 89235143
(E)-N,4-dimethylhex-3-en-5-yn-2-imine
CID 91053481
N-methylocta-1,2,5-trien-4-imine
CID 91100685
(Z)-hept-3-en-6-yn-2-imine
CID 91453242

Frequently Asked Questions

What is the IUPAC name of N-methylhex-4-en-1-yn-3-imine?
The IUPAC name of N-methylhex-4-en-1-yn-3-imine (CID 123279994) is N-methylhex-4-en-1-yn-3-imine.
What is the SMILES notation for N-methylhex-4-en-1-yn-3-imine?
The canonical SMILES for N-methylhex-4-en-1-yn-3-imine is C#C/C(C=CC)=N\C.
What is the InChIKey of N-methylhex-4-en-1-yn-3-imine?
The InChIKey is QKMGMVFJOAEOAJ-MPDFOIGASA-N. The full InChI is InChI=1S/C7H9N/c1-4-6-7(5-2)8-3/h2,4,6H,1,3H3/b6-4?,8-7+.
What are the key properties of N-methylhex-4-en-1-yn-3-imine?
N-methylhex-4-en-1-yn-3-imine has a molecular weight of 107.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhex-4-en-1-yn-3-imine is sourced from PubChem (CID 123279994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).