(Z)-N-butylhex-4-en-1-imine;ethane

C12H25N — CID 142891132

IUPAC(Z)-N-butylhex-4-en-1-imine;ethane
SMILESC/C=C\CC/C=N/CCCC.CC
InChIInChI=1S/C10H19N.C2H6/c1-3-5-7-8-10-11-9-6-4-2;1-2/h3,5,10H,4,6-9H2,1-2H3;1-2H3/b5-3-,11-10+;
InChIKeyIQROJZHJFPZZLQ-WDHNRNIBSA-N
MW183.34 g/mol
LogP4.24
Rot. Bonds6

About (Z)-N-butylhex-4-en-1-imine;ethane

(Z)-N-butylhex-4-en-1-imine;ethane (PubChem CID 142891132) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (Z)-N-butylhex-4-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-N-butylhex-4-en-1-imine;ethane
PubChem CID142891132
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(Z)-N-butylhex-4-en-1-imine;ethane
SMILESC/C=C\CC/C=N/CCCC.CC
InChIInChI=1S/C10H19N.C2H6/c1-3-5-7-8-10-11-9-6-4-2;1-2/h3,5,10H,4,6-9H2,1-2H3;1-2H3/b5-3-,11-10+;
InChIKeyIQROJZHJFPZZLQ-WDHNRNIBSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butylhex-4-en-1-imine;ethane?
The IUPAC name of (Z)-N-butylhex-4-en-1-imine;ethane (CID 142891132) is (Z)-N-butylhex-4-en-1-imine;ethane.
What is the SMILES notation for (Z)-N-butylhex-4-en-1-imine;ethane?
The canonical SMILES for (Z)-N-butylhex-4-en-1-imine;ethane is C/C=C\CC/C=N/CCCC.CC.
What is the InChIKey of (Z)-N-butylhex-4-en-1-imine;ethane?
The InChIKey is IQROJZHJFPZZLQ-WDHNRNIBSA-N. The full InChI is InChI=1S/C10H19N.C2H6/c1-3-5-7-8-10-11-9-6-4-2;1-2/h3,5,10H,4,6-9H2,1-2H3;1-2H3/b5-3-,11-10+;.
What are the key properties of (Z)-N-butylhex-4-en-1-imine;ethane?
(Z)-N-butylhex-4-en-1-imine;ethane has a molecular weight of 183.34 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butylhex-4-en-1-imine;ethane is sourced from PubChem (CID 142891132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).