1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol

C9H20N2O — CID 64818955

IUPAC1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCCN1CC(C)(O)CN
InChIInChI=1S/C9H20N2O/c1-8-4-3-5-11(8)7-9(2,12)6-10/h8,12H,3-7,10H2,1-2H3
InChIKeyMDDXZHJHTXYHLG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds3

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

1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 64818955) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID64818955
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCCN1CC(C)(O)CN
InChIInChI=1S/C9H20N2O/c1-8-4-3-5-11(8)7-9(2,12)6-10/h8,12H,3-7,10H2,1-2H3
InChIKeyMDDXZHJHTXYHLG-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 64818768
2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
CID 104550406
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-amino-2-methylpropan-2-ol
CID 102728937
1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 130487919
1-amino-2-methyl-6-(2-methylpiperidin-1-yl)hexan-2-ol
CID 64818983
1-amino-2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 79924930
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819
[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 22406539
2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130718541

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol (CID 64818955) is 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol is CC1CCCN1CC(C)(O)CN.
What is the InChIKey of 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is MDDXZHJHTXYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-4-3-5-11(8)7-9(2,12)6-10/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 64818955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).