(Z)-N-ethylhex-3-en-2-imine;prop-1-yne

C11H19N — CID 142828309

IUPAC(Z)-N-ethylhex-3-en-2-imine;prop-1-yne
SMILESC#CC.CC/C=C\C(C)=N\CC
InChIInChI=1S/C8H15N.C3H4/c1-4-6-7-8(3)9-5-2;1-3-2/h6-7H,4-5H2,1-3H3;1H,2H3/b7-6-,9-8+;
InChIKeyHNFXMNYSBYZVEP-FTOWGUJXSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds3

About (Z)-N-ethylhex-3-en-2-imine;prop-1-yne

(Z)-N-ethylhex-3-en-2-imine;prop-1-yne (PubChem CID 142828309) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (Z)-N-ethylhex-3-en-2-imine;prop-1-yne.

Molecular Properties

Compound Name(Z)-N-ethylhex-3-en-2-imine;prop-1-yne
PubChem CID142828309
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(Z)-N-ethylhex-3-en-2-imine;prop-1-yne
SMILESC#CC.CC/C=C\C(C)=N\CC
InChIInChI=1S/C8H15N.C3H4/c1-4-6-7-8(3)9-5-2;1-3-2/h6-7H,4-5H2,1-3H3;1H,2H3/b7-6-,9-8+;
InChIKeyHNFXMNYSBYZVEP-FTOWGUJXSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylhex-3-en-2-imine;prop-1-yne?
The IUPAC name of (Z)-N-ethylhex-3-en-2-imine;prop-1-yne (CID 142828309) is (Z)-N-ethylhex-3-en-2-imine;prop-1-yne.
What is the SMILES notation for (Z)-N-ethylhex-3-en-2-imine;prop-1-yne?
The canonical SMILES for (Z)-N-ethylhex-3-en-2-imine;prop-1-yne is C#CC.CC/C=C\C(C)=N\CC.
What is the InChIKey of (Z)-N-ethylhex-3-en-2-imine;prop-1-yne?
The InChIKey is HNFXMNYSBYZVEP-FTOWGUJXSA-N. The full InChI is InChI=1S/C8H15N.C3H4/c1-4-6-7-8(3)9-5-2;1-3-2/h6-7H,4-5H2,1-3H3;1H,2H3/b7-6-,9-8+;.
What are the key properties of (Z)-N-ethylhex-3-en-2-imine;prop-1-yne?
(Z)-N-ethylhex-3-en-2-imine;prop-1-yne has a molecular weight of 165.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylhex-3-en-2-imine;prop-1-yne is sourced from PubChem (CID 142828309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).