(Z)-N-methyloct-5-en-2-yn-4-imine

C9H13N — CID 153389232

IUPAC(Z)-N-methyloct-5-en-2-yn-4-imine
SMILESCC#CC(/C=C\CC)=N\C
InChIInChI=1S/C9H13N/c1-4-6-8-9(10-3)7-5-2/h6,8H,4H2,1-3H3/b8-6-,10-9+
InChIKeyBBYAXGNLTNTLFH-JWJWWGMXSA-N
MW135.21 g/mol
LogP2.05
Rot. Bonds2

About (Z)-N-methyloct-5-en-2-yn-4-imine

(Z)-N-methyloct-5-en-2-yn-4-imine (PubChem CID 153389232) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (Z)-N-methyloct-5-en-2-yn-4-imine.

Molecular Properties

Compound Name(Z)-N-methyloct-5-en-2-yn-4-imine
PubChem CID153389232
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(Z)-N-methyloct-5-en-2-yn-4-imine
SMILESCC#CC(/C=C\CC)=N\C
InChIInChI=1S/C9H13N/c1-4-6-8-9(10-3)7-5-2/h6,8H,4H2,1-3H3/b8-6-,10-9+
InChIKeyBBYAXGNLTNTLFH-JWJWWGMXSA-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

prop-1-yne;(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
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(Z)-1,1,1-trifluoro-N-methylhept-3-en-5-yn-2-imine
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N-methylpent-3-en-2-imine
CID 15325554
N-methylcyclohexa-2,5-dien-1-imine
CID 20614487
N-propylcyclohexa-2,5-dien-1-imine
CID 21188343
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
N-prop-2-enylhex-3-en-2-imine
CID 86159650
(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
(3Z,5Z)-N-methylhepta-3,5-dien-2-imine
CID 89597212

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyloct-5-en-2-yn-4-imine?
The IUPAC name of (Z)-N-methyloct-5-en-2-yn-4-imine (CID 153389232) is (Z)-N-methyloct-5-en-2-yn-4-imine.
What is the SMILES notation for (Z)-N-methyloct-5-en-2-yn-4-imine?
The canonical SMILES for (Z)-N-methyloct-5-en-2-yn-4-imine is CC#CC(/C=C\CC)=N\C.
What is the InChIKey of (Z)-N-methyloct-5-en-2-yn-4-imine?
The InChIKey is BBYAXGNLTNTLFH-JWJWWGMXSA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-8-9(10-3)7-5-2/h6,8H,4H2,1-3H3/b8-6-,10-9+.
What are the key properties of (Z)-N-methyloct-5-en-2-yn-4-imine?
(Z)-N-methyloct-5-en-2-yn-4-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 (Z)-N-methyloct-5-en-2-yn-4-imine is sourced from PubChem (CID 153389232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).