2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide

C13H21N3O — CID 79804986

IUPAC2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCCC(C)(N)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-5-13(3,14)12(17)16(4)10(2)11-6-8-15-9-7-11/h6-10H,5,14H2,1-4H3
InChIKeyHJYVISGPXUFAPN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.73
Rot. Bonds4

About 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide

2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide (PubChem CID 79804986) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
PubChem CID79804986
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCCC(C)(N)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-5-13(3,14)12(17)16(4)10(2)11-6-8-15-9-7-11/h6-10H,5,14H2,1-4H3
InChIKeyHJYVISGPXUFAPN-UHFFFAOYSA-N
XLogP1.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
3-chloro-N,2,2-trimethyl-N-(1-pyridin-4-ylethyl)propanamide
CID 63665480
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
tert-butyl N-methyl-N-(1-pyridin-4-ylethyl)carbamate
CID 63789575
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 65227260
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
1-amino-N-methyl-N-(1-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 65463841

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The IUPAC name of 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide (CID 79804986) is 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The canonical SMILES for 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide is CCC(C)(N)C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
The InChIKey is HJYVISGPXUFAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-13(3,14)12(17)16(4)10(2)11-6-8-15-9-7-11/h6-10H,5,14H2,1-4H3.
What are the key properties of 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide?
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 79804986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).