1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol

C16H29N3O2 — CID 106104795

IUPAC1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCc1ccn(C)n1
InChIInChI=1S/C16H29N3O2/c1-13-5-3-4-6-16(13)21-12-15(20)11-17-9-7-14-8-10-19(2)18-14/h8,10,13,15-17,20H,3-7,9,11-12H2,1-2H3
InChIKeyWTZQHFNIMDRCPD-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.51
Rot. Bonds8

About 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol

1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol (PubChem CID 106104795) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
PubChem CID106104795
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCc1ccn(C)n1
InChIInChI=1S/C16H29N3O2/c1-13-5-3-4-6-16(13)21-12-15(20)11-17-9-7-14-8-10-19(2)18-14/h8,10,13,15-17,20H,3-7,9,11-12H2,1-2H3
InChIKeyWTZQHFNIMDRCPD-UHFFFAOYSA-N
XLogP1.51
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82882583
1-(cyclopropylmethoxy)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol
CID 106104833
(2S)-3-[2-(1-methylpyrazol-3-yl)ethylamino]propane-1,2-diol
CID 106104702
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633182
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632962
ethyl 3-hydroxy-4-[2-(1-methylpyrazol-3-yl)ethylamino]butanoate
CID 114144039
1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632525
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol (CID 106104795) is 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol is CC1CCCCC1OCC(O)CNCCc1ccn(C)n1.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is WTZQHFNIMDRCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13-5-3-4-6-16(13)21-12-15(20)11-17-9-7-14-8-10-19(2)18-14/h8,10,13,15-17,20H,3-7,9,11-12H2,1-2H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 295.43 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-[2-(1-methylpyrazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106104795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).