3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol

C10H22N2O — CID 117237622

IUPAC3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
SMILESCC(C)N1CCC(C(CN)CO)C1
InChIInChI=1S/C10H22N2O/c1-8(2)12-4-3-9(6-12)10(5-11)7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyYRXXRJUWGMKTCM-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.28
Rot. Bonds4

About 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol

3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol (PubChem CID 117237622) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
PubChem CID117237622
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
SMILESCC(C)N1CCC(C(CN)CO)C1
InChIInChI=1S/C10H22N2O/c1-8(2)12-4-3-9(6-12)10(5-11)7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyYRXXRJUWGMKTCM-UHFFFAOYSA-N
XLogP0.28
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668
N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237573
N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237587
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
CID 117239088
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol (CID 117237622) is 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol is CC(C)N1CCC(C(CN)CO)C1.
What is the InChIKey of 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is YRXXRJUWGMKTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)12-4-3-9(6-12)10(5-11)7-13/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol?
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 117237622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).