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

C10H22N2O2 — CID 79540718

IUPAC3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
SMILESCC(CC1CCCN1)NCC(O)CO
InChIInChI=1S/C10H22N2O2/c1-8(12-6-10(14)7-13)5-9-3-2-4-11-9/h8-14H,2-7H2,1H3
InChIKeyNKMODUBFDSSQPL-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.54
Rot. Bonds6

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

3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol (PubChem CID 79540718) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
PubChem CID79540718
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol
SMILESCC(CC1CCCN1)NCC(O)CO
InChIInChI=1S/C10H22N2O2/c1-8(12-6-10(14)7-13)5-9-3-2-4-11-9/h8-14H,2-7H2,1H3
InChIKeyNKMODUBFDSSQPL-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

1-[1-(azepan-2-yl)propan-2-ylamino]-3-methoxypropan-2-ol
CID 79560235
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
N-(2,2-dicyclopropylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541769
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79540027
3-methoxy-2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)propan-1-amine
CID 79540301
2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79544229
[1-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]cyclopentyl]methanol
CID 115358900
N'-(1-pyrrolidin-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79540795
N-methyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)acetamide
CID 79541394
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79541025

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol?
The IUPAC name of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol (CID 79540718) is 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol is CC(CC1CCCN1)NCC(O)CO.
What is the InChIKey of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol?
The InChIKey is NKMODUBFDSSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(12-6-10(14)7-13)5-9-3-2-4-11-9/h8-14H,2-7H2,1H3.
What are the key properties of 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol?
3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-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 3-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 79540718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).