2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide

C15H19N3O — CID 81426473

IUPAC2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
SMILESCCC(C)(N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H19N3O/c1-3-15(2,16)14(19)18-10-12-7-4-6-11-8-5-9-17-13(11)12/h4-9H,3,10,16H2,1-2H3,(H,18,19)
InChIKeyPFBDMVWIRVDUNP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide

2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide (PubChem CID 81426473) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
PubChem CID81426473
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
SMILESCCC(C)(N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H19N3O/c1-3-15(2,16)14(19)18-10-12-7-4-6-11-8-5-9-17-13(11)12/h4-9H,3,10,16H2,1-2H3,(H,18,19)
InChIKeyPFBDMVWIRVDUNP-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
CID 107570250
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
3-(tert-butylamino)-N-(quinolin-8-ylmethyl)propanamide
CID 81427105
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide?
The IUPAC name of 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide (CID 81426473) is 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide?
The canonical SMILES for 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide is CCC(C)(N)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide?
The InChIKey is PFBDMVWIRVDUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-15(2,16)14(19)18-10-12-7-4-6-11-8-5-9-17-13(11)12/h4-9H,3,10,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide?
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide has a molecular weight of 257.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide is sourced from PubChem (CID 81426473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).