2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine

C10H22N2 — CID 79415139

IUPAC2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCC(CN)C(C)N1CCCC1C
InChIInChI=1S/C10H22N2/c1-8(7-11)10(3)12-6-4-5-9(12)2/h8-10H,4-7,11H2,1-3H3
InChIKeyPSILKJDPHHJEDL-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine

2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine (PubChem CID 79415139) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
PubChem CID79415139
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCC(CN)C(C)N1CCCC1C
InChIInChI=1S/C10H22N2/c1-8(7-11)10(3)12-6-4-5-9(12)2/h8-10H,4-7,11H2,1-3H3
InChIKeyPSILKJDPHHJEDL-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine (CID 79415139) is 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine is CC(CN)C(C)N1CCCC1C.
What is the InChIKey of 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is PSILKJDPHHJEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(7-11)10(3)12-6-4-5-9(12)2/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 79415139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).