2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol

C10H22N2O2 — CID 79540590

IUPAC2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
SMILESCC(CC1CCCN1)NC(CO)CO
InChIInChI=1S/C10H22N2O2/c1-8(12-10(6-13)7-14)5-9-3-2-4-11-9/h8-14H,2-7H2,1H3
InChIKeyOUWYTMGHPJMYIL-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.54
Rot. Bonds6

About 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol

2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol (PubChem CID 79540590) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
PubChem CID79540590
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
SMILESCC(CC1CCCN1)NC(CO)CO
InChIInChI=1S/C10H22N2O2/c1-8(12-10(6-13)7-14)5-9-3-2-4-11-9/h8-14H,2-7H2,1H3
InChIKeyOUWYTMGHPJMYIL-UHFFFAOYSA-N
XLogP-0.54
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937
N-[(1S)-1-cyclopentylethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81386567
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
CID 79540718
2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
1-N,1-N-dimethyl-2-N-(1-pyrrolidin-2-ylpropan-2-yl)propane-1,2-diamine
CID 82937432
4-[1-(azepan-2-yl)propan-2-ylamino]pentan-2-ol
CID 113376129
1-(azepan-2-yl)-N-[(1R)-1-cyclohexylethyl]propan-2-amine
CID 81384452
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[1-(azepan-2-yl)propan-2-yl]octan-4-amine
CID 106023864
1-N,1-N,4-trimethyl-2-N-(1-piperidin-2-ylpropan-2-yl)pentane-1,2-diamine
CID 79538875
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 106282005

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol (CID 79540590) is 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol is CC(CC1CCCN1)NC(CO)CO.
What is the InChIKey of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol?
The InChIKey is OUWYTMGHPJMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(12-10(6-13)7-14)5-9-3-2-4-11-9/h8-14H,2-7H2,1H3.
What are the key properties of 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol?
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol has a molecular weight of 202.30 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 79540590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).