2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine

C16H29N — CID 20647016

IUPAC2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
SMILESCC(C)=C(C)/C(=N\C(C)C)C(=C(C)C)C(C)C
InChIInChI=1S/C16H29N/c1-10(2)14(9)16(17-13(7)8)15(11(3)4)12(5)6/h11,13H,1-9H3/b17-16+
InChIKeyQFIYUXQJJYKWIO-WUKNDPDISA-N
MW235.41 g/mol
LogP5.18
Rot. Bonds4

About 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine

2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine (PubChem CID 20647016) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine.

Molecular Properties

Compound Name2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
PubChem CID20647016
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
SMILESCC(C)=C(C)/C(=N\C(C)C)C(=C(C)C)C(C)C
InChIInChI=1S/C16H29N/c1-10(2)14(9)16(17-13(7)8)15(11(3)4)12(5)6/h11,13H,1-9H3/b17-16+
InChIKeyQFIYUXQJJYKWIO-WUKNDPDISA-N
XLogP5.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4,5,6-Tri(propan-2-yl)-2,3-dihydropyridine
CID 58365477
(Z)-3,4,5-trimethyl-N-propan-2-ylhex-3-en-2-imine
CID 59879255
N,4-dimethyl-3-propan-2-ylpent-3-en-2-imine
CID 88869346
2-methyl-4,5-di(propan-2-yl)-2H-pyrrole
CID 89060382
2,3,4-trimethyl-5-propan-2-yl-2H-pyrrole
CID 89517655
3-ethyl-2,4-dimethyl-5-propan-2-yl-2H-pyrrole
CID 91186555
5-ethyl-3-methyl-4-propan-2-yl-2H-pyrrole
CID 118344870
3,5-diethyl-4-propan-2-yl-2H-pyrrole
CID 118344871

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine?
The IUPAC name of 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine (CID 20647016) is 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine.
What is the SMILES notation for 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine?
The canonical SMILES for 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine is CC(C)=C(C)/C(=N\C(C)C)C(=C(C)C)C(C)C.
What is the InChIKey of 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine?
The InChIKey is QFIYUXQJJYKWIO-WUKNDPDISA-N. The full InChI is InChI=1S/C16H29N/c1-10(2)14(9)16(17-13(7)8)15(11(3)4)12(5)6/h11,13H,1-9H3/b17-16+.
What are the key properties of 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine?
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine has a molecular weight of 235.41 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine is sourced from PubChem (CID 20647016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).