4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine

C18H36N2O — CID 58849462

IUPAC4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine
SMILESC/C(CC(C)C)=N\C(C)COCC(C)/N=C(\C)CC(C)C
InChIInChI=1S/C18H36N2O/c1-13(2)9-15(5)19-17(7)11-21-12-18(8)20-16(6)10-14(3)4/h13-14,17-18H,9-12H2,1-8H3/b19-15+,20-16+
InChIKeyJTNLSESWDVBUQR-MXWIWYRXSA-N
MW296.50 g/mol
LogP4.79
Rot. Bonds10

About 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine

4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine (PubChem CID 58849462) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine
PubChem CID58849462
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine
SMILESC/C(CC(C)C)=N\C(C)COCC(C)/N=C(\C)CC(C)C
InChIInChI=1S/C18H36N2O/c1-13(2)9-15(5)19-17(7)11-21-12-18(8)20-16(6)10-14(3)4/h13-14,17-18H,9-12H2,1-8H3/b19-15+,20-16+
InChIKeyJTNLSESWDVBUQR-MXWIWYRXSA-N
XLogP4.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
4-methyl-N-(1-trimethoxysilylbutyl)pentan-2-imine
CID 173017912
(4-methylpentan-2-ylideneamino) acetate
CID 59413828
(E)-4-methyl-N-[methyl-bis[[(Z)-4-methylpentan-2-ylideneamino]oxy]silyl]oxypentan-2-imine
CID 99771064
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
4-methyl-N-[1-[1-(4-methylpentan-2-ylideneamino)-3-triethoxysilylpropoxy]-3-triethoxysilylpropyl]pentan-2-imine
CID 174412172
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796
1-[tert-butyl(dimethyl)silyl]-N-(1-ethoxypropan-2-yl)ethanimine
CID 10911739
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
N-tert-butyl-2,6-dimethylheptan-4-imine
CID 155787750
2,4-dimethylpent-1-ene;ethane
CID 143336990
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine?
The IUPAC name of 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine (CID 58849462) is 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine.
What is the SMILES notation for 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine?
The canonical SMILES for 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine is C/C(CC(C)C)=N\C(C)COCC(C)/N=C(\C)CC(C)C.
What is the InChIKey of 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine?
The InChIKey is JTNLSESWDVBUQR-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H36N2O/c1-13(2)9-15(5)19-17(7)11-21-12-18(8)20-16(6)10-14(3)4/h13-14,17-18H,9-12H2,1-8H3/b19-15+,20-16+.
What are the key properties of 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine?
4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine has a molecular weight of 296.50 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[2-(4-methylpentan-2-ylideneamino)propoxy]propan-2-yl]pentan-2-imine is sourced from PubChem (CID 58849462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).