1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol

C16H33NO2 — CID 2892936

IUPAC1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H33NO2/c1-12-7-14(9-16(5,6)8-12)19-11-13(18)10-17-15(2,3)4/h12-14,17-18H,7-11H2,1-6H3
InChIKeySYMRXAKJCMBHJY-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds5

About 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol

1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol (PubChem CID 2892936) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
PubChem CID2892936
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
SMILESCC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C16H33NO2/c1-12-7-14(9-16(5,6)8-12)19-11-13(18)10-17-15(2,3)4/h12-14,17-18H,7-11H2,1-6H3
InChIKeySYMRXAKJCMBHJY-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol (CID 2892936) is 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol is CC1CC(OCC(O)CNC(C)(C)C)CC(C)(C)C1.
What is the InChIKey of 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
The InChIKey is SYMRXAKJCMBHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-12-7-14(9-16(5,6)8-12)19-11-13(18)10-17-15(2,3)4/h12-14,17-18H,7-11H2,1-6H3.
What are the key properties of 1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol?
1-(tert-butylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 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-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 2892936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).