1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol

C16H34N2O3 — CID 61222081

IUPAC1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNC(C)CN1CCCC1
InChIInChI=1S/C16H34N2O3/c1-3-4-9-20-10-11-21-14-16(19)12-17-15(2)13-18-7-5-6-8-18/h15-17,19H,3-14H2,1-2H3
InChIKeyZACAXQWBLGGTIA-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.25
Rot. Bonds13

About 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol

1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol (PubChem CID 61222081) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
PubChem CID61222081
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
SMILESCCCCOCCOCC(O)CNC(C)CN1CCCC1
InChIInChI=1S/C16H34N2O3/c1-3-4-9-20-10-11-21-14-16(19)12-17-15(2)13-18-7-5-6-8-18/h15-17,19H,3-14H2,1-2H3
InChIKeyZACAXQWBLGGTIA-UHFFFAOYSA-N
XLogP1.25
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.25
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-(1-methoxypropan-2-yloxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 106989617
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-(2-butoxyethoxy)-3-(3-ethylpentan-2-ylamino)propan-2-ol
CID 63838472
1-(oxolan-2-ylmethoxy)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 61499940
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
1-butoxy-3-[[(1R)-1-cycloheptylethyl]amino]propan-2-ol
CID 107262975
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
1-butoxy-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 107262659
(2R)-1-[2-(2-butoxyethoxy)ethoxy]-3-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ol
CID 92518845
1-(2-butoxyethoxy)-3-(cyclopentylamino)propan-2-ol
CID 60635270

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol (CID 61222081) is 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol is CCCCOCCOCC(O)CNC(C)CN1CCCC1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is ZACAXQWBLGGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-3-4-9-20-10-11-21-14-16(19)12-17-15(2)13-18-7-5-6-8-18/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol?
1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 302.46 g/mol, XLogP of 1.25, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 61222081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).