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

C16H34ClNO2 — CID 2882066

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COC1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C16H33NO2.ClH/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;1H
InChIKeySNARDWNGVSHJPT-UHFFFAOYSA-N
MW307.91 g/mol
LogP3.39
Rot. Bonds6

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

1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 2882066) has the molecular formula C16H34ClNO2 and a molecular weight of 307.91 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID2882066
Molecular FormulaC16H34ClNO2
Molecular Weight307.91 g/mol
Exact Mass307.23
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COC1CCC(C(C)(C)C)CC1.Cl
InChIInChI=1S/C16H33NO2.ClH/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;1H
InChIKeySNARDWNGVSHJPT-UHFFFAOYSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.91
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 2882066) is 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COC1CCC(C(C)(C)C)CC1.Cl.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is SNARDWNGVSHJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2.ClH/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;1H.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 307.91 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 2882066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).