2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide

C13H21N3O — CID 65227260

IUPAC2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCCC(CN)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-4-11(9-14)13(17)16(3)10(2)12-5-7-15-8-6-12/h5-8,10-11H,4,9,14H2,1-3H3
InChIKeyRQTPDPMOKUQURQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.59
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide

2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide (PubChem CID 65227260) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
PubChem CID65227260
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
SMILESCCC(CN)C(=O)N(C)C(C)c1ccncc1
InChIInChI=1S/C13H21N3O/c1-4-11(9-14)13(17)16(3)10(2)12-5-7-15-8-6-12/h5-8,10-11H,4,9,14H2,1-3H3
InChIKeyRQTPDPMOKUQURQ-UHFFFAOYSA-N
XLogP1.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60962964
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 61163259
2-amino-N-methyl-4-methylsulfonyl-N-(1-pyridin-4-ylethyl)butanamide
CID 60962966
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)butanamide
CID 79804986
2-amino-N,2-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874185
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pentanamide
CID 65227703

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide (CID 65227260) is 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide is CCC(CN)C(=O)N(C)C(C)c1ccncc1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide?
The InChIKey is RQTPDPMOKUQURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-11(9-14)13(17)16(3)10(2)12-5-7-15-8-6-12/h5-8,10-11H,4,9,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide?
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 65227260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).