trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine

C18H27N — CID 10868949

IUPACtrans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C18H27N/c1-13(2)17-11-10-14(3)12-18(17)19-15(4)16-8-6-5-7-9-16/h5-9,13-15,17H,10-12H2,1-4H3/b19-18+/t14-,15-,17+/m1/s1
InChIKeyCWARMCQOPCELNM-HWRWJAFMSA-N
MW257.42 g/mol
LogP5.28
Rot. Bonds3

About trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine

trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine (PubChem CID 10868949) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine.

Molecular Properties

Compound Nametrans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine
PubChem CID10868949
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nametrans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine
SMILESCC(C)[C@@H]1CC[C@@H](C)C/C1=N\[C@H](C)c1ccccc1
InChIInChI=1S/C18H27N/c1-13(2)17-11-10-14(3)12-18(17)19-15(4)16-8-6-5-7-9-16/h5-9,13-15,17H,10-12H2,1-4H3/b19-18+/t14-,15-,17+/m1/s1
InChIKeyCWARMCQOPCELNM-HWRWJAFMSA-N
XLogP5.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine with MolForge

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Related Compounds

N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
CID 130756041
trans-(2R,6R)-2,6-dimethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-imine
CID 102093030
1,3-dimethyl-N-[(1R)-1-phenylethyl]imidazolidin-2-imine
CID 101094846
2-chloro-N-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016316
2-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9016314
(1S,4S)-N-(1-phenylethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-imine
CID 11218140
(3S)-N-[(Z)-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237807
trans-(Z,2S,5R)-5-methyl-2-propan-2-yl-N-prop-2-enoxycyclohexan-1-imine
CID 46945726
4-chloro-N-[(Z)-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]amino]benzamide
CID 9060236
2-(cyclohexylmethyl)-N-[(1R)-1-phenylethyl]cyclopentan-1-imine
CID 10708145
1-methyl-3-[(Z)-[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]thiourea
CID 9071727
trans-(E,2S,5R)-5-methyl-2-propan-2-yl-N-prop-2-ynoxycyclohexan-1-imine
CID 46945518

Frequently Asked Questions

What is the IUPAC name of trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine?
The IUPAC name of trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine (CID 10868949) is trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine.
What is the SMILES notation for trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine?
The canonical SMILES for trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine is CC(C)[C@@H]1CC[C@@H](C)C/C1=N\[C@H](C)c1ccccc1.
What is the InChIKey of trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine?
The InChIKey is CWARMCQOPCELNM-HWRWJAFMSA-N. The full InChI is InChI=1S/C18H27N/c1-13(2)17-11-10-14(3)12-18(17)19-15(4)16-8-6-5-7-9-16/h5-9,13-15,17H,10-12H2,1-4H3/b19-18+/t14-,15-,17+/m1/s1.
What are the key properties of trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine?
trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine has a molecular weight of 257.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,5R)-5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-imine is sourced from PubChem (CID 10868949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).