trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine

C16H23N — CID 102093030

IUPACtrans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
SMILESC[C@@H]1CCC[C@@H](C)C1=N[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23N/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15/h4-6,10-14H,7-9H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyDMAMKDHEHXVGJD-MCIONIFRSA-N
MW229.37 g/mol
LogP4.64
Rot. Bonds2

About trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine

trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine (PubChem CID 102093030) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine.

Molecular Properties

Compound Nametrans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
PubChem CID102093030
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Nametrans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
SMILESC[C@@H]1CCC[C@@H](C)C1=N[C@@H](C)c1ccccc1
InChIInChI=1S/C16H23N/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15/h4-6,10-14H,7-9H2,1-3H3/t12-,13-,14+/m1/s1
InChIKeyDMAMKDHEHXVGJD-MCIONIFRSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,2-N,2-N-tetracyclohexyl-3-(1-phenylethylimino)cyclopropene-1,2-diamine;hydrochloride
CID 140655245
trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine
CID 10868949
4-tert-butyl-N-(1-phenylethyl)cyclohexan-1-imine
CID 14609244
1-cyclobutylethylbenzene
CID 22024745
(3R,5S)-4-[(1S)-1-phenylethyl]iminoadamantan-1-ol
CID 59658215
1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
CID 101094846
2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine
CID 10708145
3-methyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 12731669
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine
CID 144897282

Frequently Asked Questions

What is the IUPAC name of trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine?
The IUPAC name of trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine (CID 102093030) is trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine.
What is the SMILES notation for trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine?
The canonical SMILES for trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine is C[C@@H]1CCC[C@@H](C)C1=N[C@@H](C)c1ccccc1.
What is the InChIKey of trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine?
The InChIKey is DMAMKDHEHXVGJD-MCIONIFRSA-N. The full InChI is InChI=1S/C16H23N/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15/h4-6,10-14H,7-9H2,1-3H3/t12-,13-,14+/m1/s1.
What are the key properties of trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine?
trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine has a molecular weight of 229.37 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine is sourced from PubChem (CID 102093030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).