N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine

C24H31NO — CID 6581364

IUPACN-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine
SMILESCc1ccc([C@@H](CC/N=C/c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO/c1-19-9-11-21(12-10-19)23(22-14-16-26-24(2,3)17-22)13-15-25-18-20-7-5-4-6-8-20/h4-12,18,22-23H,13-17H2,1-3H3/b25-18+/t22-,23+/m0/s1
InChIKeyAZIRMXJZJODAMB-BSOBGVOESA-N
MW349.52 g/mol
LogP5.79
Rot. Bonds6

About N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine

N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine (PubChem CID 6581364) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine
PubChem CID6581364
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine
SMILESCc1ccc([C@@H](CC/N=C/c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO/c1-19-9-11-21(12-10-19)23(22-14-16-26-24(2,3)17-22)13-15-25-18-20-7-5-4-6-8-20/h4-12,18,22-23H,13-17H2,1-3H3/b25-18+/t22-,23+/m0/s1
InChIKeyAZIRMXJZJODAMB-BSOBGVOESA-N
XLogP5.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-[2-(4-Benzyl-2,2-dimethyloxan-4-YL)ethyl](phenylmethylidene)amine
CID 4311167
2-[2,2-dimethyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]-N-[(E)-phenylmethylidene]ethanamine
CID 6620640
(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
5-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexa-2,4-dien-1-yl]-2-propyl-5,6-dihydro-4H-1,3-oxazine
CID 20155961
2-[2-[4-(4-ethylphenyl)phenyl]ethyl]-5-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 20155983
2-[2-[4-(4-ethylphenyl)phenyl]ethenyl]-5-pentyl-5,6-dihydro-4H-1,3-oxazine
CID 54496914
5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-2-propyl-5,6-dihydro-2H-1,3-oxazine
CID 70433451
N-[2-(4-benzyl-2-methylideneoxan-4-yl)ethyl]-1-phenylmethanimine
CID 89380498

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine?
The IUPAC name of N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine (CID 6581364) is N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine?
The canonical SMILES for N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine is Cc1ccc([C@@H](CC/N=C/c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1.
What is the InChIKey of N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine?
The InChIKey is AZIRMXJZJODAMB-BSOBGVOESA-N. The full InChI is InChI=1S/C24H31NO/c1-19-9-11-21(12-10-19)23(22-14-16-26-24(2,3)17-22)13-15-25-18-20-7-5-4-6-8-20/h4-12,18,22-23H,13-17H2,1-3H3/b25-18+/t22-,23+/m0/s1.
What are the key properties of N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine?
N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine has a molecular weight of 349.52 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[(4S)-2,2-dimethyloxan-4-yl]-3-(4-methylphenyl)propyl]-1-phenylmethanimine is sourced from PubChem (CID 6581364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).