2-(2-methylpyrrolidin-1-yl)butan-1-amine

C9H20N2 — CID 60973442

IUPAC2-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCCC(CN)N1CCCC1C
InChIInChI=1S/C9H20N2/c1-3-9(7-10)11-6-4-5-8(11)2/h8-9H,3-7,10H2,1-2H3
InChIKeyIZIRYRGINOHRJN-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds3

About 2-(2-methylpyrrolidin-1-yl)butan-1-amine

2-(2-methylpyrrolidin-1-yl)butan-1-amine (PubChem CID 60973442) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)butan-1-amine
PubChem CID60973442
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCCC(CN)N1CCCC1C
InChIInChI=1S/C9H20N2/c1-3-9(7-10)11-6-4-5-8(11)2/h8-9H,3-7,10H2,1-2H3
InChIKeyIZIRYRGINOHRJN-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)butan-1-amine (CID 60973442) is 2-(2-methylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)butan-1-amine is CCC(CN)N1CCCC1C.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is IZIRYRGINOHRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-9(7-10)11-6-4-5-8(11)2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)butan-1-amine?
2-(2-methylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 60973442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).