1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

C16H31NO2 — CID 54938468

IUPAC1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC(C)C1CC1
InChIInChI=1S/C16H31NO2/c1-3-13-6-4-5-7-16(13)19-11-15(18)10-17-12(2)14-8-9-14/h12-18H,3-11H2,1-2H3
InChIKeyGBUDLFYRKQJWDV-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.72
Rot. Bonds8

About 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (PubChem CID 54938468) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
PubChem CID54938468
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC(C)C1CC1
InChIInChI=1S/C16H31NO2/c1-3-13-6-4-5-7-16(13)19-11-15(18)10-17-12(2)14-8-9-14/h12-18H,3-11H2,1-2H3
InChIKeyGBUDLFYRKQJWDV-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (CID 54938468) is 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is CCC1CCCCC1OCC(O)CNC(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The InChIKey is GBUDLFYRKQJWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-13-6-4-5-7-16(13)19-11-15(18)10-17-12(2)14-8-9-14/h12-18H,3-11H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 54938468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).