N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine

C13H19NO — CID 13200678

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine
SMILESCOCC(/N=C/c1ccccc1)C(C)C
InChIInChI=1S/C13H19NO/c1-11(2)13(10-15-3)14-9-12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/b14-9+
InChIKeySUKZEURCAANQEE-NTEUORMPSA-N
MW205.30 g/mol
LogP2.78
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine

N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine (PubChem CID 13200678) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine
PubChem CID13200678
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine
SMILESCOCC(/N=C/c1ccccc1)C(C)C
InChIInChI=1S/C13H19NO/c1-11(2)13(10-15-3)14-9-12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/b14-9+
InChIKeySUKZEURCAANQEE-NTEUORMPSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propanamine, N-(phenylmethylene)-
CID 95962
methyl 2-{[(E)-phenylmethylidene]amino}propanoate
CID 583372
Methyl [(phenylmethylidene)amino]acetate
CID 4169153
2-[(Phenylmethylene)amino]ethanol
CID 97677
1-Propanamine, 2-methyl-N-(phenylmethylene)-
CID 11805067
(E)-N-isopentyl-1-phenylmethanimine
CID 15061859
l-Alanine, N-(phenylmethylene)-, methyl ester
CID 1478228
(E)-N-(2-methylbutyl)-1-phenylmethanimine
CID 146684646
1-(Benzylideneamino)propan-2-ol
CID 222072
Ethyl 2-(benzylideneamino)acetate
CID 357745
methylethyl (3E)-2-methyl-4-phenyl-3-azabut-3-enoate
CID 4209985
(R,S)-2-(Benzylidene-amino)-3-methyl-butyric acid methyl ester
CID 11806192

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine (CID 13200678) is N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine is COCC(/N=C/c1ccccc1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine?
The InChIKey is SUKZEURCAANQEE-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)13(10-15-3)14-9-12-7-5-4-6-8-12/h4-9,11,13H,10H2,1-3H3/b14-9+.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine?
N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine has a molecular weight of 205.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1-phenylmethanimine is sourced from PubChem (CID 13200678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).