1-pyrrolidin-1-ylbutan-2-amine

C8H18N2 — CID 6484668

IUPAC1-pyrrolidin-1-ylbutan-2-amine
SMILESCCC(N)CN1CCCC1
InChIInChI=1S/C8H18N2/c1-2-8(9)7-10-5-3-4-6-10/h8H,2-7,9H2,1H3
InChIKeyJGFPTUFHGRZOJJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds3

About 1-pyrrolidin-1-ylbutan-2-amine

1-pyrrolidin-1-ylbutan-2-amine (PubChem CID 6484668) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name1-pyrrolidin-1-ylbutan-2-amine
PubChem CID6484668
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-pyrrolidin-1-ylbutan-2-amine
SMILESCCC(N)CN1CCCC1
InChIInChI=1S/C8H18N2/c1-2-8(9)7-10-5-3-4-6-10/h8H,2-7,9H2,1H3
InChIKeyJGFPTUFHGRZOJJ-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 1-pyrrolidin-1-ylbutan-2-amine (CID 6484668) is 1-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 1-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 1-pyrrolidin-1-ylbutan-2-amine is CCC(N)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is JGFPTUFHGRZOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-8(9)7-10-5-3-4-6-10/h8H,2-7,9H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylbutan-2-amine?
1-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 6484668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).