1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

C17H35NO2 — CID 63837233

IUPAC1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCCC(CC)C(C)NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C17H35NO2/c1-5-15(6-2)14(4)18-11-16(19)12-20-17-9-7-13(3)8-10-17/h13-19H,5-12H2,1-4H3
InChIKeyVVLJFRIQNYINQD-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.36
Rot. Bonds9

About 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol

1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (PubChem CID 63837233) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
PubChem CID63837233
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
SMILESCCC(CC)C(C)NCC(O)COC1CCC(C)CC1
InChIInChI=1S/C17H35NO2/c1-5-15(6-2)14(4)18-11-16(19)12-20-17-9-7-13(3)8-10-17/h13-19H,5-12H2,1-4H3
InChIKeyVVLJFRIQNYINQD-UHFFFAOYSA-N
XLogP3.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol (CID 63837233) is 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is CCC(CC)C(C)NCC(O)COC1CCC(C)CC1.
What is the InChIKey of 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is VVLJFRIQNYINQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-15(6-2)14(4)18-11-16(19)12-20-17-9-7-13(3)8-10-17/h13-19H,5-12H2,1-4H3.
What are the key properties of 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol?
1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 285.47 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-ylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 63837233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).