1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol

C9H20N2O — CID 83816410

IUPAC1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol
SMILESCC(C)(CCN)N1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-9(2,4-5-10)11-6-3-8(12)7-11/h8,12H,3-7,10H2,1-2H3
InChIKeyAHMNQAZEYMJYEA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds3

About 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol

1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol (PubChem CID 83816410) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol
PubChem CID83816410
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol
SMILESCC(C)(CCN)N1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-9(2,4-5-10)11-6-3-8(12)7-11/h8,12H,3-7,10H2,1-2H3
InChIKeyAHMNQAZEYMJYEA-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-Tert-butylpyrrolidin-3-ol
CID 21702735
(3R)-1-(3-aminopropyl)pyrrolidin-3-ol
CID 54595925
(3S)-1-(3-aminopropyl)pyrrolidin-3-ol
CID 58413219
1-Amino-3-(3-fluoropyrrolidin-1-yl)butan-2-ol
CID 164657967
1-(3-Amino-3-methylpyrrolidin-1-yl)-3-fluoropropan-2-ol
CID 165600467
1-[(1,3-Dimethylpyrrolidin-3-yl)amino]-3-fluoropropan-2-ol
CID 165782142
1-(4-Aminobutyl)pyrrolidin-3-ol
CID 18550500
4-Amino-1-tert-butylamino-butan-2-ol
CID 18550835
1-[3-Methyl-2-(methylamino)butyl]pyrrolidin-3-ol
CID 19002746
1-[3-Methyl-1-(methylamino)butan-2-yl]pyrrolidin-3-ol
CID 19440010
4-(Aminomethyl)-1-methylpyrrolidin-3-ol
CID 20697375
1-(Methylamino)-4-(pyrrolidin-1-yl)butan-2-ol
CID 21285824

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol (CID 83816410) is 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol is CC(C)(CCN)N1CCC(O)C1.
What is the InChIKey of 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol?
The InChIKey is AHMNQAZEYMJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(2,4-5-10)11-6-3-8(12)7-11/h8,12H,3-7,10H2,1-2H3.
What are the key properties of 1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol?
1-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-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-(4-amino-2-methylbutan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 83816410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).