(Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine

C12H23N — CID 118616225

IUPAC(Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine
SMILESC/C=C(CC)\C(CC)=N\C(C)CC
InChIInChI=1S/C12H23N/c1-6-10(5)13-12(9-4)11(7-2)8-3/h7,10H,6,8-9H2,1-5H3/b11-7-,13-12+
InChIKeyBAJNILOZTBNMNO-JFJOJTIFSA-N
MW181.32 g/mol
LogP3.99
Rot. Bonds5

About (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine

(Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine (PubChem CID 118616225) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine
PubChem CID118616225
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine
SMILESC/C=C(CC)\C(CC)=N\C(C)CC
InChIInChI=1S/C12H23N/c1-6-10(5)13-12(9-4)11(7-2)8-3/h7,10H,6,8-9H2,1-5H3/b11-7-,13-12+
InChIKeyBAJNILOZTBNMNO-JFJOJTIFSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.99
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 (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine?
The IUPAC name of (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine (CID 118616225) is (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine.
What is the SMILES notation for (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine?
The canonical SMILES for (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine is C/C=C(CC)\C(CC)=N\C(C)CC.
What is the InChIKey of (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine?
The InChIKey is BAJNILOZTBNMNO-JFJOJTIFSA-N. The full InChI is InChI=1S/C12H23N/c1-6-10(5)13-12(9-4)11(7-2)8-3/h7,10H,6,8-9H2,1-5H3/b11-7-,13-12+.
What are the key properties of (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine?
(Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine has a molecular weight of 181.32 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-4-ethylhex-4-en-3-imine is sourced from PubChem (CID 118616225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).