4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol

C10H22N2O — CID 127016501

IUPAC4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)C1CCNC1
InChIInChI=1S/C10H22N2O/c1-9(2,7-11)10(3,13)8-4-5-12-6-8/h8,12-13H,4-7,11H2,1-3H3
InChIKeyAHOQZEAEXMDJRL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.33
Rot. Bonds3

About 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol

4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol (PubChem CID 127016501) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
PubChem CID127016501
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
SMILESCC(C)(CN)C(C)(O)C1CCNC1
InChIInChI=1S/C10H22N2O/c1-9(2,7-11)10(3,13)8-4-5-12-6-8/h8,12-13H,4-7,11H2,1-3H3
InChIKeyAHOQZEAEXMDJRL-UHFFFAOYSA-N
XLogP0.33
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol
CID 79135325
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
2-methyl-2-pyrrolidin-3-ylpropanamide;hydrochloride
CID 118918407
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
2-methyl-2-pyrrolidin-3-ylpropanoic acid
CID 82652022
2-piperidin-3-ylbutan-2-ol
CID 63586087
3-(1,1-difluoro-3,3-dimethylbutyl)pyrrolidine
CID 115058342
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
1-butoxy-2-[(3R)-pyrrolidin-3-yl]propan-2-ol
CID 66758977

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol?
The IUPAC name of 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol (CID 127016501) is 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol.
What is the SMILES notation for 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol?
The canonical SMILES for 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol is CC(C)(CN)C(C)(O)C1CCNC1.
What is the InChIKey of 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol?
The InChIKey is AHOQZEAEXMDJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2,7-11)10(3,13)8-4-5-12-6-8/h8,12-13H,4-7,11H2,1-3H3.
What are the key properties of 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol?
4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol is sourced from PubChem (CID 127016501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).