2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol

C18H33NO2 — CID 64802322

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol
SMILESCC1CC(OCC(CO)(NC2CC2)C2CC2)CC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-13-8-16(10-17(2,3)9-13)21-12-18(11-20,14-4-5-14)19-15-6-7-15/h13-16,19-20H,4-12H2,1-3H3
InChIKeyULDSTIQJPWJKQZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.11
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol (PubChem CID 64802322) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol
PubChem CID64802322
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol
SMILESCC1CC(OCC(CO)(NC2CC2)C2CC2)CC(C)(C)C1
InChIInChI=1S/C18H33NO2/c1-13-8-16(10-17(2,3)9-13)21-12-18(11-20,14-4-5-14)19-15-6-7-15/h13-16,19-20H,4-12H2,1-3H3
InChIKeyULDSTIQJPWJKQZ-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol (CID 64802322) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol is CC1CC(OCC(CO)(NC2CC2)C2CC2)CC(C)(C)C1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol?
The InChIKey is ULDSTIQJPWJKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13-8-16(10-17(2,3)9-13)21-12-18(11-20,14-4-5-14)19-15-6-7-15/h13-16,19-20H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol has a molecular weight of 295.47 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-2-(cyclopropylamino)-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-ol is sourced from PubChem (CID 64802322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).