1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol

C16H32N2O2 — CID 62991174

IUPAC1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
SMILESCC(CNCC(O)COC1CCCC1)CN1CCCC1
InChIInChI=1S/C16H32N2O2/c1-14(12-18-8-4-5-9-18)10-17-11-15(19)13-20-16-6-2-3-7-16/h14-17,19H,2-13H2,1H3
InChIKeyFXTWYDYMPBDJRD-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds9

About 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol

1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol (PubChem CID 62991174) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
PubChem CID62991174
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
SMILESCC(CNCC(O)COC1CCCC1)CN1CCCC1
InChIInChI=1S/C16H32N2O2/c1-14(12-18-8-4-5-9-18)10-17-11-15(19)13-20-16-6-2-3-7-16/h14-17,19H,2-13H2,1H3
InChIKeyFXTWYDYMPBDJRD-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol (CID 62991174) is 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol is CC(CNCC(O)COC1CCCC1)CN1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol?
The InChIKey is FXTWYDYMPBDJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-14(12-18-8-4-5-9-18)10-17-11-15(19)13-20-16-6-2-3-7-16/h14-17,19H,2-13H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol?
1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol is sourced from PubChem (CID 62991174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).