(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol

C9H20N2O — CID 117012200

IUPAC(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol
SMILESCCC(C)N1CCC(N)(CO)C1
InChIInChI=1S/C9H20N2O/c1-3-8(2)11-5-4-9(10,6-11)7-12/h8,12H,3-7,10H2,1-2H3
InChIKeyZDJBEEDJLIGDCU-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds3

About (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol

(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol (PubChem CID 117012200) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol
PubChem CID117012200
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol
SMILESCCC(C)N1CCC(N)(CO)C1
InChIInChI=1S/C9H20N2O/c1-3-8(2)11-5-4-9(10,6-11)7-12/h8,12H,3-7,10H2,1-2H3
InChIKeyZDJBEEDJLIGDCU-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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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol (CID 117012200) is (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol is CCC(C)N1CCC(N)(CO)C1.
What is the InChIKey of (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol?
The InChIKey is ZDJBEEDJLIGDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-8(2)11-5-4-9(10,6-11)7-12/h8,12H,3-7,10H2,1-2H3.
What are the key properties of (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol?
(3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol 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 (3-amino-1-butan-2-ylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 117012200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).