1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol

C17H34N2O2 — CID 60669620

IUPAC1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
SMILESCC1CCCC(OCC(O)CNCCCN2CCCC2)C1
InChIInChI=1S/C17H34N2O2/c1-15-6-4-7-17(12-15)21-14-16(20)13-18-8-5-11-19-9-2-3-10-19/h15-18,20H,2-14H2,1H3
InChIKeyPKVUYUAOIHJKJX-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds9

About 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol

1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol (PubChem CID 60669620) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
PubChem CID60669620
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
SMILESCC1CCCC(OCC(O)CNCCCN2CCCC2)C1
InChIInChI=1S/C17H34N2O2/c1-15-6-4-7-17(12-15)21-14-16(20)13-18-8-5-11-19-9-2-3-10-19/h15-18,20H,2-14H2,1H3
InChIKeyPKVUYUAOIHJKJX-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(3-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045638
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The IUPAC name of 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol (CID 60669620) is 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol is CC1CCCC(OCC(O)CNCCCN2CCCC2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
The InChIKey is PKVUYUAOIHJKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15-6-4-7-17(12-15)21-14-16(20)13-18-8-5-11-19-9-2-3-10-19/h15-18,20H,2-14H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol?
1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)oxy-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol is sourced from PubChem (CID 60669620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).