5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide

C15H31N3O — CID 82012268

IUPAC5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
SMILESCC(CN)CCC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C15H31N3O/c1-12(2)14(18-8-4-5-9-18)11-17-15(19)7-6-13(3)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyLAGLMMQSVOXTGS-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds8

About 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide

5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide (PubChem CID 82012268) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
PubChem CID82012268
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
SMILESCC(CN)CCC(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C15H31N3O/c1-12(2)14(18-8-4-5-9-18)11-17-15(19)7-6-13(3)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyLAGLMMQSVOXTGS-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
The IUPAC name of 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide (CID 82012268) is 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide.
What is the SMILES notation for 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
The canonical SMILES for 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide is CC(CN)CCC(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
The InChIKey is LAGLMMQSVOXTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)14(18-8-4-5-9-18)11-17-15(19)7-6-13(3)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide?
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide is sourced from PubChem (CID 82012268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).