N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine

C15H27N — CID 91514253

IUPACN-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine
SMILESCCC(C)=CC(=C/N=C(\C)CC)CC(C)C
InChIInChI=1S/C15H27N/c1-7-13(5)10-15(9-12(3)4)11-16-14(6)8-2/h10-12H,7-9H2,1-6H3/b13-10?,15-11?,16-14+
InChIKeyOLZPFRVQWHENMG-LOPKXERSSA-N
MW221.39 g/mol
LogP5.14
Rot. Bonds6

About N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine

N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine (PubChem CID 91514253) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine.

Molecular Properties

Compound NameN-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine
PubChem CID91514253
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine
SMILESCCC(C)=CC(=C/N=C(\C)CC)CC(C)C
InChIInChI=1S/C15H27N/c1-7-13(5)10-15(9-12(3)4)11-16-14(6)8-2/h10-12H,7-9H2,1-6H3/b13-10?,15-11?,16-14+
InChIKeyOLZPFRVQWHENMG-LOPKXERSSA-N
XLogP5.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91015106
3-methyl-N-[(1E,3Z)-3-methyl-2-(1,1,2-trifluoroethyl)penta-1,3-dienyl]hexan-2-imine
CID 123544900
6-Ethyl-7-fluoro-2-methyl-3,4-dihydroazocine
CID 173998928
N-[(1E,3E)-2-fluorohexa-1,3-dienyl]-3-methylbutan-2-imine
CID 174202912
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
4-[(3Z,5E)-5-fluorohepta-3,5-dien-2-yl]-2-methyl-3H-pyrrole
CID 142825982
7-methyl-7H-indole
CID 20381758
2-methyl-4,5-di(propan-2-yl)-3H-pyridin-3-ide;yttrium
CID 58763033
5-methyl-2,3-di(propan-2-yl)-4H-pyridin-4-ide;yttrium
CID 58763043
3-Propan-2-ylcyclopenta[c]pyrrole
CID 67439504

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine?
The IUPAC name of N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine (CID 91514253) is N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine.
What is the SMILES notation for N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine?
The canonical SMILES for N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine is CCC(C)=CC(=C/N=C(\C)CC)CC(C)C.
What is the InChIKey of N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine?
The InChIKey is OLZPFRVQWHENMG-LOPKXERSSA-N. The full InChI is InChI=1S/C15H27N/c1-7-13(5)10-15(9-12(3)4)11-16-14(6)8-2/h10-12H,7-9H2,1-6H3/b13-10?,15-11?,16-14+.
What are the key properties of N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine?
N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine has a molecular weight of 221.39 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(2-methylpropyl)hexa-1,3-dienyl]butan-2-imine is sourced from PubChem (CID 91514253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).