2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol

C9H20N2O2 — CID 107911684

IUPAC2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
SMILESOCC(CO)NCCN1CCCC1
InChIInChI=1S/C9H20N2O2/c12-7-9(8-13)10-3-6-11-4-1-2-5-11/h9-10,12-13H,1-8H2
InChIKeySKFGZCMYZXQNTJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.98
Rot. Bonds6

About 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol

2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol (PubChem CID 107911684) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
PubChem CID107911684
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
SMILESOCC(CO)NCCN1CCCC1
InChIInChI=1S/C9H20N2O2/c12-7-9(8-13)10-3-6-11-4-1-2-5-11/h9-10,12-13H,1-8H2
InChIKeySKFGZCMYZXQNTJ-UHFFFAOYSA-N
XLogP-0.98
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 106190805
4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
2-(2-morpholin-4-ylethylamino)butan-1-ol
CID 43393515
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
1-chloro-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913663
N-(2-pyrrolidin-1-ylethyl)undecan-6-amine
CID 43767999
2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
N-(2-piperidin-1-ylethyl)hexan-3-amine
CID 115905417
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol (CID 107911684) is 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol is OCC(CO)NCCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
The InChIKey is SKFGZCMYZXQNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c12-7-9(8-13)10-3-6-11-4-1-2-5-11/h9-10,12-13H,1-8H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol?
2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol has a molecular weight of 188.27 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol is sourced from PubChem (CID 107911684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).