1-(1-aminopentan-3-yl)pyrrolidin-3-ol

C9H20N2O — CID 62943558

IUPAC1-(1-aminopentan-3-yl)pyrrolidin-3-ol
SMILESCCC(CCN)N1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-2-8(3-5-10)11-6-4-9(12)7-11/h8-9,12H,2-7,10H2,1H3
InChIKeyIGHSUYSDWRGXLD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.18
Rot. Bonds4

About 1-(1-aminopentan-3-yl)pyrrolidin-3-ol

1-(1-aminopentan-3-yl)pyrrolidin-3-ol (PubChem CID 62943558) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(1-aminopentan-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-aminopentan-3-yl)pyrrolidin-3-ol
PubChem CID62943558
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(1-aminopentan-3-yl)pyrrolidin-3-ol
SMILESCCC(CCN)N1CCC(O)C1
InChIInChI=1S/C9H20N2O/c1-2-8(3-5-10)11-6-4-9(12)7-11/h8-9,12H,2-7,10H2,1H3
InChIKeyIGHSUYSDWRGXLD-UHFFFAOYSA-N
XLogP0.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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 1-(1-aminopentan-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-aminopentan-3-yl)pyrrolidin-3-ol (CID 62943558) is 1-(1-aminopentan-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-aminopentan-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-aminopentan-3-yl)pyrrolidin-3-ol is CCC(CCN)N1CCC(O)C1.
What is the InChIKey of 1-(1-aminopentan-3-yl)pyrrolidin-3-ol?
The InChIKey is IGHSUYSDWRGXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-2-8(3-5-10)11-6-4-9(12)7-11/h8-9,12H,2-7,10H2,1H3.
What are the key properties of 1-(1-aminopentan-3-yl)pyrrolidin-3-ol?
1-(1-aminopentan-3-yl)pyrrolidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 62943558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).