(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine

C12H23N — CID 88903609

IUPAC(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine
SMILESCCCC/N=C/C(C)=C\CC(C)C
InChIInChI=1S/C12H23N/c1-5-6-9-13-10-12(4)8-7-11(2)3/h8,10-11H,5-7,9H2,1-4H3/b12-8-,13-10+
InChIKeyHOVVLSMXZGFFIV-FECSTBLZSA-N
MW181.32 g/mol
LogP3.85
Rot. Bonds6

About (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine

(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine (PubChem CID 88903609) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine
PubChem CID88903609
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine
SMILESCCCC/N=C/C(C)=C\CC(C)C
InChIInChI=1S/C12H23N/c1-5-6-9-13-10-12(4)8-7-11(2)3/h8,10-11H,5-7,9H2,1-4H3/b12-8-,13-10+
InChIKeyHOVVLSMXZGFFIV-FECSTBLZSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.85
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine?
The IUPAC name of (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine (CID 88903609) is (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine.
What is the SMILES notation for (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine?
The canonical SMILES for (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine is CCCC/N=C/C(C)=C\CC(C)C.
What is the InChIKey of (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine?
The InChIKey is HOVVLSMXZGFFIV-FECSTBLZSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-9-13-10-12(4)8-7-11(2)3/h8,10-11H,5-7,9H2,1-4H3/b12-8-,13-10+.
What are the key properties of (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine?
(Z)-N-butyl-2,5-dimethylhex-2-en-1-imine has a molecular weight of 181.32 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-2,5-dimethylhex-2-en-1-imine is sourced from PubChem (CID 88903609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).