4-ethynyl-N,5-dimethylhex-4-en-3-imine

C10H15N — CID 138701816

IUPAC4-ethynyl-N,5-dimethylhex-4-en-3-imine
SMILESC#CC(=C(C)C)/C(CC)=N/C
InChIInChI=1S/C10H15N/c1-6-9(8(3)4)10(7-2)11-5/h1H,7H2,2-5H3/b11-10+
InChIKeyBYNPTHSIAKGAJU-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.44
Rot. Bonds2

About 4-ethynyl-N,5-dimethylhex-4-en-3-imine

4-ethynyl-N,5-dimethylhex-4-en-3-imine (PubChem CID 138701816) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-ethynyl-N,5-dimethylhex-4-en-3-imine.

Molecular Properties

Compound Name4-ethynyl-N,5-dimethylhex-4-en-3-imine
PubChem CID138701816
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-ethynyl-N,5-dimethylhex-4-en-3-imine
SMILESC#CC(=C(C)C)/C(CC)=N/C
InChIInChI=1S/C10H15N/c1-6-9(8(3)4)10(7-2)11-5/h1H,7H2,2-5H3/b11-10+
InChIKeyBYNPTHSIAKGAJU-ZHACJKMWSA-N
XLogP2.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.44
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

(3E,6E)-2-N,8-N,3,4,6,7-hexamethylnona-3,6-diene-2,8-diimine
CID 89900803
4-ethynyl-3,5-dimethyl-2H-pyrrole
CID 90830709
(E)-N,4-dimethylhex-3-en-5-yn-2-imine
CID 91053481
N,4,5-trimethylhept-4-en-3-imine
CID 91220474
N,5,6-trimethyloct-5-en-4-imine
CID 123876539
(Z)-N,3,4-trimethylhept-3-en-2-imine
CID 134478016
(E)-N,4,5-trimethylhept-4-en-3-imine
CID 156034910
(3E)-3-ethenyl-4-ethynyl-N-methylhexa-3,5-dien-2-imine
CID 167170129
(E)-N,3,4-trimethylhex-3-en-5-yn-2-imine
CID 144510901
(Z)-N,3-dimethyl-4-propan-2-ylhex-3-en-5-yn-2-imine
CID 145370956
(Z)-N,4-dimethylhex-4-en-1-yn-3-imine
CID 149485979
N,5-dimethylhex-4-en-1-yn-3-imine
CID 168991673

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-N,5-dimethylhex-4-en-3-imine?
The IUPAC name of 4-ethynyl-N,5-dimethylhex-4-en-3-imine (CID 138701816) is 4-ethynyl-N,5-dimethylhex-4-en-3-imine.
What is the SMILES notation for 4-ethynyl-N,5-dimethylhex-4-en-3-imine?
The canonical SMILES for 4-ethynyl-N,5-dimethylhex-4-en-3-imine is C#CC(=C(C)C)/C(CC)=N/C.
What is the InChIKey of 4-ethynyl-N,5-dimethylhex-4-en-3-imine?
The InChIKey is BYNPTHSIAKGAJU-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-6-9(8(3)4)10(7-2)11-5/h1H,7H2,2-5H3/b11-10+.
What are the key properties of 4-ethynyl-N,5-dimethylhex-4-en-3-imine?
4-ethynyl-N,5-dimethylhex-4-en-3-imine has a molecular weight of 149.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-N,5-dimethylhex-4-en-3-imine is sourced from PubChem (CID 138701816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).