2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide

C14H23N3O — CID 114290465

IUPAC2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCN(Cc1ccncc1)C(=O)C(C)(CC)CN
InChIInChI=1S/C14H23N3O/c1-4-14(3,11-15)13(18)17(5-2)10-12-6-8-16-9-7-12/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyXOFBTBUTBMRMJS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide

2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 114290465) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID114290465
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCN(Cc1ccncc1)C(=O)C(C)(CC)CN
InChIInChI=1S/C14H23N3O/c1-4-14(3,11-15)13(18)17(5-2)10-12-6-8-16-9-7-12/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyXOFBTBUTBMRMJS-UHFFFAOYSA-N
XLogP1.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
6-amino-N-ethyl-4,4-dimethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 65292091
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
2-[ethyl-[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822188
[ethyl(pyridin-4-ylmethyl)carbamothioyl]sulfanyl N-ethyl-N-(pyridin-4-ylmethyl)carbamodithioate
CID 168679323
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 44630282
N-ethyl-N-(pyridin-4-ylmethyl)cyclohexene-1-carboxamide
CID 102234848

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide (CID 114290465) is 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide is CCN(Cc1ccncc1)C(=O)C(C)(CC)CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is XOFBTBUTBMRMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-14(3,11-15)13(18)17(5-2)10-12-6-8-16-9-7-12/h6-9H,4-5,10-11,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide?
2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-2-methyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 114290465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).