2-amino-2-methyl-N-quinolin-6-ylbutanamide

C14H17N3O — CID 79811443

IUPAC2-amino-2-methyl-N-quinolin-6-ylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C14H17N3O/c1-3-14(2,15)13(18)17-11-6-7-12-10(9-11)5-4-8-16-12/h4-9H,3,15H2,1-2H3,(H,17,18)
InChIKeyBIEFOHGPAPPBKF-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-2-methyl-N-quinolin-6-ylbutanamide

2-amino-2-methyl-N-quinolin-6-ylbutanamide (PubChem CID 79811443) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-2-methyl-N-quinolin-6-ylbutanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-quinolin-6-ylbutanamide
PubChem CID79811443
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-amino-2-methyl-N-quinolin-6-ylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C14H17N3O/c1-3-14(2,15)13(18)17-11-6-7-12-10(9-11)5-4-8-16-12/h4-9H,3,15H2,1-2H3,(H,17,18)
InChIKeyBIEFOHGPAPPBKF-UHFFFAOYSA-N
XLogP2.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003191
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
2-amino-2-methyl-N-quinolin-3-ylpentanamide
CID 60846674
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
N-quinolin-6-ylbenzamide
CID 833617
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-quinolin-6-ylbutanamide?
The IUPAC name of 2-amino-2-methyl-N-quinolin-6-ylbutanamide (CID 79811443) is 2-amino-2-methyl-N-quinolin-6-ylbutanamide.
What is the SMILES notation for 2-amino-2-methyl-N-quinolin-6-ylbutanamide?
The canonical SMILES for 2-amino-2-methyl-N-quinolin-6-ylbutanamide is CCC(C)(N)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-amino-2-methyl-N-quinolin-6-ylbutanamide?
The InChIKey is BIEFOHGPAPPBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-14(2,15)13(18)17-11-6-7-12-10(9-11)5-4-8-16-12/h4-9H,3,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-N-quinolin-6-ylbutanamide?
2-amino-2-methyl-N-quinolin-6-ylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 2.30, 3 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-6-ylbutanamide is sourced from PubChem (CID 79811443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).