3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol

C19H31NO — CID 53346009

IUPAC3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol
SMILESCC(C)c1cccc(NCC2(C)CC(O)CC(C)(C)C2)c1
InChIInChI=1S/C19H31NO/c1-14(2)15-7-6-8-16(9-15)20-13-19(5)11-17(21)10-18(3,4)12-19/h6-9,14,17,20-21H,10-13H2,1-5H3
InChIKeySTPHBPGFKKUPMZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.80
Rot. Bonds4

About 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol

3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol (PubChem CID 53346009) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol
PubChem CID53346009
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol
SMILESCC(C)c1cccc(NCC2(C)CC(O)CC(C)(C)C2)c1
InChIInChI=1S/C19H31NO/c1-14(2)15-7-6-8-16(9-15)20-13-19(5)11-17(21)10-18(3,4)12-19/h6-9,14,17,20-21H,10-13H2,1-5H3
InChIKeySTPHBPGFKKUPMZ-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897270
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826
Icmt-IN-39
CID 53387232
Icmt-IN-42
CID 53387390
Icmt-IN-43
CID 53387391
Icmt-IN-44
CID 53387392
Icmt-IN-46
CID 53387394
cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70681012
3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzonitrile
CID 70681013
cis-(1S,3R)-3-[(2-chloroanilino)methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70687373
cis-(1S,5R)-3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70687374
cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol
CID 70689436

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol (CID 53346009) is 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol is CC(C)c1cccc(NCC2(C)CC(O)CC(C)(C)C2)c1.
What is the InChIKey of 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol?
The InChIKey is STPHBPGFKKUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14(2)15-7-6-8-16(9-15)20-13-19(5)11-17(21)10-18(3,4)12-19/h6-9,14,17,20-21H,10-13H2,1-5H3.
What are the key properties of 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol?
3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol has a molecular weight of 289.46 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-5-[(3-propan-2-ylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 53346009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).