1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane

C12H28N2O — CID 143050174

IUPAC1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane
SMILESCC(C)C.CC1CCCN1CC(O)CN
InChIInChI=1S/C8H18N2O.C4H10/c1-7-3-2-4-10(7)6-8(11)5-9;1-4(2)3/h7-8,11H,2-6,9H2,1H3;4H,1-3H3
InChIKeyCZYZJYLXZILSQI-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.45
Rot. Bonds3

About 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane

1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane (PubChem CID 143050174) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane.

Molecular Properties

Compound Name1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane
PubChem CID143050174
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane
SMILESCC(C)C.CC1CCCN1CC(O)CN
InChIInChI=1S/C8H18N2O.C4H10/c1-7-3-2-4-10(7)6-8(11)5-9;1-4(2)3/h7-8,11H,2-6,9H2,1H3;4H,1-3H3
InChIKeyCZYZJYLXZILSQI-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 69368166
(2S)-1-amino-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 130492440
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
1-cyclopropyl-2-(2-methylpyrrolidin-1-yl)ethanol
CID 63905921
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopropan-2-ol
CID 130492481
(2S)-1-(cyclopropylamino)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 124550924
1-(3-amino-2-hydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 104643418
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
2-methyl-3-(2-methylpiperidin-1-yl)propanimidamide
CID 43367810
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
6-methyl-7-(2-methylpyrrolidin-1-yl)heptan-2-amine
CID 65296489

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane?
The IUPAC name of 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane (CID 143050174) is 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane.
What is the SMILES notation for 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane?
The canonical SMILES for 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane is CC(C)C.CC1CCCN1CC(O)CN.
What is the InChIKey of 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane?
The InChIKey is CZYZJYLXZILSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C4H10/c1-7-3-2-4-10(7)6-8(11)5-9;1-4(2)3/h7-8,11H,2-6,9H2,1H3;4H,1-3H3.
What are the key properties of 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane?
1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane has a molecular weight of 216.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane is sourced from PubChem (CID 143050174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).