N-benzyl-3-methoxy-3-methylbutan-2-imine

C13H19NO — CID 163320945

IUPACN-benzyl-3-methoxy-3-methylbutan-2-imine
SMILESCOC(C)(C)/C(C)=N/Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(13(2,3)15-4)14-10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b14-11+
InChIKeyUHJCKNFBYIYTPH-SDNWHVSQSA-N
MW205.30 g/mol
LogP3.07
Rot. Bonds4

About N-benzyl-3-methoxy-3-methylbutan-2-imine

N-benzyl-3-methoxy-3-methylbutan-2-imine (PubChem CID 163320945) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-3-methoxy-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-benzyl-3-methoxy-3-methylbutan-2-imine
PubChem CID163320945
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-3-methoxy-3-methylbutan-2-imine
SMILESCOC(C)(C)/C(C)=N/Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(13(2,3)15-4)14-10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b14-11+
InChIKeyUHJCKNFBYIYTPH-SDNWHVSQSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.07
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

N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
N'-benzyl-N,N-dimethylethanimidamide
CID 525276
2-amino-N'-benzyl-3-methoxypropanimidamide
CID 123324852
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
methyl 2-benzylimino-2-chloroacetate
CID 159056583
N-benzyl-1-propan-2-yloxypropan-2-imine
CID 167562432
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
3-benzyliminobutanoic acid
CID 23175618
(2-methoxy-2-methylpropyl)benzene
CID 3842751
N-(N-acetyl-N'-benzylcarbamimidoyl)acetamide
CID 121007598
N'-benzylpropanimidamide
CID 45122449
tert-butyl N-(N,N'-dibenzylcarbamimidoyl)carbamate
CID 11121334

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-3-methylbutan-2-imine?
The IUPAC name of N-benzyl-3-methoxy-3-methylbutan-2-imine (CID 163320945) is N-benzyl-3-methoxy-3-methylbutan-2-imine.
What is the SMILES notation for N-benzyl-3-methoxy-3-methylbutan-2-imine?
The canonical SMILES for N-benzyl-3-methoxy-3-methylbutan-2-imine is COC(C)(C)/C(C)=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-3-methoxy-3-methylbutan-2-imine?
The InChIKey is UHJCKNFBYIYTPH-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(13(2,3)15-4)14-10-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3/b14-11+.
What are the key properties of N-benzyl-3-methoxy-3-methylbutan-2-imine?
N-benzyl-3-methoxy-3-methylbutan-2-imine has a molecular weight of 205.30 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-3-methylbutan-2-imine is sourced from PubChem (CID 163320945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).