1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol

C15H31NO2 — CID 115476156

IUPAC1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNC(C)(C)C)CC1C
InChIInChI=1S/C15H31NO2/c1-11-6-7-14(8-12(11)2)18-10-13(17)9-16-15(3,4)5/h11-14,16-17H,6-10H2,1-5H3
InChIKeyHJXXKPIGQVMJLP-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds5

About 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol

1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol (PubChem CID 115476156) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol
PubChem CID115476156
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CCC(OCC(O)CNC(C)(C)C)CC1C
InChIInChI=1S/C15H31NO2/c1-11-6-7-14(8-12(11)2)18-10-13(17)9-16-15(3,4)5/h11-14,16-17H,6-10H2,1-5H3
InChIKeyHJXXKPIGQVMJLP-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Tert-butylamino)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol hydrochloride
CID 2892936
1-(Tert-butylamino)-3-((2-isopropyl-5-methylcyclohexyl)oxy)propan-2-ol hydrochloride
CID 2769745
1-(4-Tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2882066
2-Propanol, 1-[(1-methylethyl)amino]-3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
CID 209611
1-Tert-Butylamino-3-(2-isopropyl-5-methyl-cyclohexyloxy)-propan-2-ol
CID 511485
1-[(4-Tert-butylcyclohexyl)oxy]-3-(isopropylamino)-2-propanol hydrochloride
CID 2882067
(2S)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 6591527
1-(3-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632593
1-(3-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226774
1,1,1-Trifluoro-3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105644912
1,1-Difluoro-3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propan-2-ol
CID 105645461
1-(3-Methylcyclohexyl)oxy-3-(4,4,4-trifluorobutan-2-ylamino)propan-2-ol
CID 105935485

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol (CID 115476156) is 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol is CC1CCC(OCC(O)CNC(C)(C)C)CC1C.
What is the InChIKey of 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol?
The InChIKey is HJXXKPIGQVMJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-11-6-7-14(8-12(11)2)18-10-13(17)9-16-15(3,4)5/h11-14,16-17H,6-10H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol?
1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(3,4-dimethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 115476156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).