1-amino-2-pyrrolidin-2-ylethanol

C6H14N2O — CID 155698617

IUPAC1-amino-2-pyrrolidin-2-ylethanol
SMILESNC(O)CC1CCCN1
InChIInChI=1S/C6H14N2O/c7-6(9)4-5-2-1-3-8-5/h5-6,8-9H,1-4,7H2
InChIKeySKRAIGZZXGIRPZ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.59
Rot. Bonds2

About 1-amino-2-pyrrolidin-2-ylethanol

1-amino-2-pyrrolidin-2-ylethanol (PubChem CID 155698617) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-amino-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-amino-2-pyrrolidin-2-ylethanol
PubChem CID155698617
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-amino-2-pyrrolidin-2-ylethanol
SMILESNC(O)CC1CCCN1
InChIInChI=1S/C6H14N2O/c7-6(9)4-5-2-1-3-8-5/h5-6,8-9H,1-4,7H2
InChIKeySKRAIGZZXGIRPZ-UHFFFAOYSA-N
XLogP-0.59
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol
CID 142059557
1-pyrrolidin-2-ylpropan-2-one
CID 45085262
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-amino-2-pyrrolidin-2-ylethanol (CID 155698617) is 1-amino-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-amino-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-amino-2-pyrrolidin-2-ylethanol is NC(O)CC1CCCN1.
What is the InChIKey of 1-amino-2-pyrrolidin-2-ylethanol?
The InChIKey is SKRAIGZZXGIRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-6(9)4-5-2-1-3-8-5/h5-6,8-9H,1-4,7H2.
What are the key properties of 1-amino-2-pyrrolidin-2-ylethanol?
1-amino-2-pyrrolidin-2-ylethanol has a molecular weight of 130.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 155698617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).