N-tert-butyl-4-phenylmethoxybutan-1-imine

C15H23NO — CID 14283127

IUPACN-tert-butyl-4-phenylmethoxybutan-1-imine
SMILESCC(C)(C)/N=C/CCCOCc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,3)16-11-7-8-12-17-13-14-9-5-4-6-10-14/h4-6,9-11H,7-8,12-13H2,1-3H3/b16-11+
InChIKeyKAUHIBDPSQBNNH-LFIBNONCSA-N
MW233.35 g/mol
LogP3.85
Rot. Bonds6

About N-tert-butyl-4-phenylmethoxybutan-1-imine

N-tert-butyl-4-phenylmethoxybutan-1-imine (PubChem CID 14283127) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-tert-butyl-4-phenylmethoxybutan-1-imine.

Molecular Properties

Compound NameN-tert-butyl-4-phenylmethoxybutan-1-imine
PubChem CID14283127
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-tert-butyl-4-phenylmethoxybutan-1-imine
SMILESCC(C)(C)/N=C/CCCOCc1ccccc1
InChIInChI=1S/C15H23NO/c1-15(2,3)16-11-7-8-12-17-13-14-9-5-4-6-10-14/h4-6,9-11H,7-8,12-13H2,1-3H3/b16-11+
InChIKeyKAUHIBDPSQBNNH-LFIBNONCSA-N
XLogP3.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 156132
Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227
5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine
CID 569306
2-Phenyl-4,5,6,7-tetrahydro-1,3-oxazepine
CID 25213916
((3-Isocyanatopropoxy)methyl)benzene
CID 115018505
Ethylamine, 2-(benzyloxy)-N,N-dimethyl-
CID 234348

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-phenylmethoxybutan-1-imine?
The IUPAC name of N-tert-butyl-4-phenylmethoxybutan-1-imine (CID 14283127) is N-tert-butyl-4-phenylmethoxybutan-1-imine.
What is the SMILES notation for N-tert-butyl-4-phenylmethoxybutan-1-imine?
The canonical SMILES for N-tert-butyl-4-phenylmethoxybutan-1-imine is CC(C)(C)/N=C/CCCOCc1ccccc1.
What is the InChIKey of N-tert-butyl-4-phenylmethoxybutan-1-imine?
The InChIKey is KAUHIBDPSQBNNH-LFIBNONCSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,3)16-11-7-8-12-17-13-14-9-5-4-6-10-14/h4-6,9-11H,7-8,12-13H2,1-3H3/b16-11+.
What are the key properties of N-tert-butyl-4-phenylmethoxybutan-1-imine?
N-tert-butyl-4-phenylmethoxybutan-1-imine has a molecular weight of 233.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-phenylmethoxybutan-1-imine is sourced from PubChem (CID 14283127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).