N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine

C23H29NO — CID 4311167

IUPACN-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine
SMILESCC1(C)CC(CC/N=C/c2ccccc2)(Cc2ccccc2)CCO1
InChIInChI=1S/C23H29NO/c1-22(2)19-23(14-16-25-22,17-20-9-5-3-6-10-20)13-15-24-18-21-11-7-4-8-12-21/h3-12,18H,13-17,19H2,1-2H3/b24-18+
InChIKeyLNVBUCUMDVWOPT-HKOYGPOVSA-N
MW335.49 g/mol
LogP5.31
Rot. Bonds6

About N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine

N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine (PubChem CID 4311167) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine
PubChem CID4311167
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC NameN-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine
SMILESCC1(C)CC(CC/N=C/c2ccccc2)(Cc2ccccc2)CCO1
InChIInChI=1S/C23H29NO/c1-22(2)19-23(14-16-25-22,17-20-9-5-3-6-10-20)13-15-24-18-21-11-7-4-8-12-21/h3-12,18H,13-17,19H2,1-2H3/b24-18+
InChIKeyLNVBUCUMDVWOPT-HKOYGPOVSA-N
XLogP5.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.31
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-[2,2-dimethyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]-N-[(E)-phenylmethylidene]ethanamine
CID 6620640
(S)-N-Benzylidene-1-methoxy-3-phenylpropan-2-amine
CID 383468
5-benzyl-6-methoxy-5-methyl-3,4-dihydro-2H-pyridine
CID 135037000
(Z)-[3-(2,2-Dimethyloxan-4-YL)-3-(4-fluorophenyl)propyl](phenylmethylidene)amine
CID 3693308
N-[(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)propyl]-1-phenylmethanimine
CID 7098368
N-[(3R)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)propyl]-1-phenylmethanimine
CID 7098369
N-[(3S)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)propyl]-1-phenylmethanimine
CID 7372837
N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-fluorophenyl)propyl]-1-phenylmethanimine
CID 7372839
N-Benzylidene-N-(1-benzyl-2-methoxyethyl)amine
CID 495886
N-[2-(4-benzyl-2-methylideneoxan-4-yl)ethyl]-1-phenylmethanimine
CID 89380498
N-[1-[(2-methylpropan-2-yl)oxy]hexan-2-yl]-1,1-diphenylmethanimine
CID 123914271
N-[1-(2,6-dimethyloxan-4-yl)ethyl]-1,1-diphenylmethanimine
CID 126599319

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine?
The IUPAC name of N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine (CID 4311167) is N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine?
The canonical SMILES for N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine is CC1(C)CC(CC/N=C/c2ccccc2)(Cc2ccccc2)CCO1.
What is the InChIKey of N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine?
The InChIKey is LNVBUCUMDVWOPT-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H29NO/c1-22(2)19-23(14-16-25-22,17-20-9-5-3-6-10-20)13-15-24-18-21-11-7-4-8-12-21/h3-12,18H,13-17,19H2,1-2H3/b24-18+.
What are the key properties of N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine?
N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine has a molecular weight of 335.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzyl-2,2-dimethyloxan-4-yl)ethyl]-1-phenylmethanimine is sourced from PubChem (CID 4311167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).