3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine

C15H26N4 — CID 79069493

IUPAC3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine
SMILESCCC(C)(C(N)c1cc(C)cnc1N)N1CCCC1
InChIInChI=1S/C15H26N4/c1-4-15(3,19-7-5-6-8-19)13(16)12-9-11(2)10-18-14(12)17/h9-10,13H,4-8,16H2,1-3H3,(H2,17,18)
InChIKeyLSZWFGRIHFACPZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.24
Rot. Bonds4

About 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine

3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine (PubChem CID 79069493) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine
PubChem CID79069493
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine
SMILESCCC(C)(C(N)c1cc(C)cnc1N)N1CCCC1
InChIInChI=1S/C15H26N4/c1-4-15(3,19-7-5-6-8-19)13(16)12-9-11(2)10-18-14(12)17/h9-10,13H,4-8,16H2,1-3H3,(H2,17,18)
InChIKeyLSZWFGRIHFACPZ-UHFFFAOYSA-N
XLogP2.24
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine (CID 79069493) is 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine is CCC(C)(C(N)c1cc(C)cnc1N)N1CCCC1.
What is the InChIKey of 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine?
The InChIKey is LSZWFGRIHFACPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-15(3,19-7-5-6-8-19)13(16)12-9-11(2)10-18-14(12)17/h9-10,13H,4-8,16H2,1-3H3,(H2,17,18).
What are the key properties of 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine?
3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methyl-2-pyrrolidin-1-ylbutyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 79069493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).