2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol

C17H33NO2 — CID 114342729

IUPAC2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(COC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C17H33NO2/c1-13(2)18-17(11-19,14-5-6-14)12-20-15-7-9-16(3,4)10-8-15/h13-15,18-19H,5-12H2,1-4H3
InChIKeyONDWMURINHRGIV-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds7

About 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol (PubChem CID 114342729) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol
PubChem CID114342729
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CO)(COC1CCC(C)(C)CC1)C1CC1
InChIInChI=1S/C17H33NO2/c1-13(2)18-17(11-19,14-5-6-14)12-20-15-7-9-16(3,4)10-8-15/h13-15,18-19H,5-12H2,1-4H3
InChIKeyONDWMURINHRGIV-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-3-[2-(2-methylpropoxy)ethoxy]-2-(propan-2-ylamino)propan-1-ol
CID 106450690
2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805041
3-cyclobutyloxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64808658
2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
2-cyclopropyl-3-(oxolan-3-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64809774
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
2-cyclopropyl-2-(propan-2-ylamino)-3-(2,3,6-trimethylphenoxy)propan-1-ol
CID 64808543
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
CID 114342105
2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol
CID 64802322
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114540865
2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64825632

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol (CID 114342729) is 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(CO)(COC1CCC(C)(C)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is ONDWMURINHRGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-13(2)18-17(11-19,14-5-6-14)12-20-15-7-9-16(3,4)10-8-15/h13-15,18-19H,5-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 114342729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).