4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine

C19H30N2 — CID 21022148

IUPAC4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\Cc1cccc(/N=C(\C)CC(C)C)c1
InChIInChI=1S/C19H30N2/c1-14(2)10-16(5)20-13-18-8-7-9-19(12-18)21-17(6)11-15(3)4/h7-9,12,14-15H,10-11,13H2,1-6H3/b20-16+,21-17+
InChIKeyXLGONTXCEGDBPF-NWILIBCHSA-N
MW286.46 g/mol
LogP5.83
Rot. Bonds7

About 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine

4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine (PubChem CID 21022148) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine.

Molecular Properties

Compound Name4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine
PubChem CID21022148
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine
SMILESC/C(CC(C)C)=N\Cc1cccc(/N=C(\C)CC(C)C)c1
InChIInChI=1S/C19H30N2/c1-14(2)10-16(5)20-13-18-8-7-9-19(12-18)21-17(6)11-15(3)4/h7-9,12,14-15H,10-11,13H2,1-6H3/b20-16+,21-17+
InChIKeyXLGONTXCEGDBPF-NWILIBCHSA-N
XLogP5.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine with MolForge

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Related Compounds

N-propan-2-yl-N'-[[3-[[1-(propan-2-ylamino)ethylideneamino]methyl]phenyl]methyl]ethanimidamide
CID 159070681
N'-(3-fluorophenyl)-3-methylbutanimidamide
CID 121219593
N-benzyl-1-propan-2-yloxypropan-2-imine
CID 167562432
N-(3-methylphenyl)butan-2-imine
CID 54385818
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
2-[3-[[[amino(nitramido)methylidene]amino]methyl]phenyl]-1-nitroguanidine
CID 18621880
N-[3-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044869
1-(isocyanatomethyl)-3-nitrosobenzene
CID 88911832
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250
2-[[3-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111045598
1,1,3,3-tetramethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine?
The IUPAC name of 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine (CID 21022148) is 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine.
What is the SMILES notation for 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine?
The canonical SMILES for 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine is C/C(CC(C)C)=N\Cc1cccc(/N=C(\C)CC(C)C)c1.
What is the InChIKey of 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine?
The InChIKey is XLGONTXCEGDBPF-NWILIBCHSA-N. The full InChI is InChI=1S/C19H30N2/c1-14(2)10-16(5)20-13-18-8-7-9-19(12-18)21-17(6)11-15(3)4/h7-9,12,14-15H,10-11,13H2,1-6H3/b20-16+,21-17+.
What are the key properties of 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine?
4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine has a molecular weight of 286.46 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(4-methylpentan-2-ylideneamino)phenyl]methyl]pentan-2-imine is sourced from PubChem (CID 21022148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).