2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine

C14H27N — CID 20647017

IUPAC2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
SMILESCC(C)=C(/C(=N/C(C)C)C(C)C)C(C)C
InChIInChI=1S/C14H27N/c1-9(2)13(10(3)4)14(11(5)6)15-12(7)8/h9,11-12H,1-8H3/b15-14+
InChIKeyCMTVTVLQORNAMZ-CCEZHUSRSA-N
MW209.38 g/mol
LogP4.48
Rot. Bonds4

About 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine

2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine (PubChem CID 20647017) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine.

Molecular Properties

Compound Name2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
PubChem CID20647017
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
SMILESCC(C)=C(/C(=N/C(C)C)C(C)C)C(C)C
InChIInChI=1S/C14H27N/c1-9(2)13(10(3)4)14(11(5)6)15-12(7)8/h9,11-12H,1-8H3/b15-14+
InChIKeyCMTVTVLQORNAMZ-CCEZHUSRSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N,4-diethyl-5-fluorohex-4-en-3-imine
CID 89330768
7-ethyl-5-fluoro-3-methyl-6-propan-2-yl-3,4-dihydro-2H-azepine
CID 123951611
(E)-5-fluoro-N-methyl-4-propan-2-ylhex-4-en-3-imine
CID 144510980
6-(1,1-Difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
CID 162583642
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
CID 20647016
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
4-methyl-2,5-di(propan-2-yl)-2H-pyrrole
CID 58402716
3,5-dimethyl-4-propan-2-yl-2H-pyrrole
CID 59693681
(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
CID 59879255

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine?
The IUPAC name of 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine (CID 20647017) is 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine.
What is the SMILES notation for 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine?
The canonical SMILES for 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine is CC(C)=C(/C(=N/C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine?
The InChIKey is CMTVTVLQORNAMZ-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H27N/c1-9(2)13(10(3)4)14(11(5)6)15-12(7)8/h9,11-12H,1-8H3/b15-14+.
What are the key properties of 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine?
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine has a molecular weight of 209.38 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine is sourced from PubChem (CID 20647017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).