(1-butan-2-ylpyrrolidin-3-yl)methanamine

C9H20N2 — CID 17389968

IUPAC(1-butan-2-ylpyrrolidin-3-yl)methanamine
SMILESCCC(C)N1CCC(CN)C1
InChIInChI=1S/C9H20N2/c1-3-8(2)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3
InChIKeyUXHLFFAPGDGJKW-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About (1-butan-2-ylpyrrolidin-3-yl)methanamine

(1-butan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 17389968) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (1-butan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-butan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID17389968
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(1-butan-2-ylpyrrolidin-3-yl)methanamine
SMILESCCC(C)N1CCC(CN)C1
InChIInChI=1S/C9H20N2/c1-3-8(2)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3
InChIKeyUXHLFFAPGDGJKW-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-butan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-butan-2-ylpyrrolidin-3-yl)methanamine (CID 17389968) is (1-butan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-butan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-butan-2-ylpyrrolidin-3-yl)methanamine is CCC(C)N1CCC(CN)C1.
What is the InChIKey of (1-butan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is UXHLFFAPGDGJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-8(2)11-5-4-9(6-10)7-11/h8-9H,3-7,10H2,1-2H3.
What are the key properties of (1-butan-2-ylpyrrolidin-3-yl)methanamine?
(1-butan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 17389968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).