(2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol

C16H33NO2 — CID 2129520

IUPAC(2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-12(2)17-10-14(18)11-19-15-8-6-13(7-9-15)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3/t13?,14-,15?/m1/s1
InChIKeyIRCTUCGANJLJNZ-SHARSMKWSA-N
MW271.44 g/mol
LogP2.97
Rot. Bonds6

About (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol

(2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 2129520) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID2129520
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name(2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO2/c1-12(2)17-10-14(18)11-19-15-8-6-13(7-9-15)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3/t13?,14-,15?/m1/s1
InChIKeyIRCTUCGANJLJNZ-SHARSMKWSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol (CID 2129520) is (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COC1CCC(C(C)(C)C)CC1.
What is the InChIKey of (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is IRCTUCGANJLJNZ-SHARSMKWSA-N. The full InChI is InChI=1S/C16H33NO2/c1-12(2)17-10-14(18)11-19-15-8-6-13(7-9-15)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3/t13?,14-,15?/m1/s1.
What are the key properties of (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 2129520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).