2-butyl-1-methylpyrrolidin-3-amine

C9H20N2 — CID 71433371

IUPAC2-butyl-1-methylpyrrolidin-3-amine
SMILESCCCCC1C(N)CCN1C
InChIInChI=1S/C9H20N2/c1-3-4-5-9-8(10)6-7-11(9)2/h8-9H,3-7,10H2,1-2H3
InChIKeyTTXQWKNSZBNVHB-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds3

About 2-butyl-1-methylpyrrolidin-3-amine

2-butyl-1-methylpyrrolidin-3-amine (PubChem CID 71433371) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-butyl-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-butyl-1-methylpyrrolidin-3-amine
PubChem CID71433371
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-butyl-1-methylpyrrolidin-3-amine
SMILESCCCCC1C(N)CCN1C
InChIInChI=1S/C9H20N2/c1-3-4-5-9-8(10)6-7-11(9)2/h8-9H,3-7,10H2,1-2H3
InChIKeyTTXQWKNSZBNVHB-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-butyl-1-methylpyrrolidin-3-amine?
The IUPAC name of 2-butyl-1-methylpyrrolidin-3-amine (CID 71433371) is 2-butyl-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 2-butyl-1-methylpyrrolidin-3-amine?
The canonical SMILES for 2-butyl-1-methylpyrrolidin-3-amine is CCCCC1C(N)CCN1C.
What is the InChIKey of 2-butyl-1-methylpyrrolidin-3-amine?
The InChIKey is TTXQWKNSZBNVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-4-5-9-8(10)6-7-11(9)2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-butyl-1-methylpyrrolidin-3-amine?
2-butyl-1-methylpyrrolidin-3-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-butyl-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 71433371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).