2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide

C14H21N3O — CID 81179768

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)CC1(CN)CCC1)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-11(12-5-2-3-8-16-12)17-13(18)9-14(10-15)6-4-7-14/h2-3,5,8,11H,4,6-7,9-10,15H2,1H3,(H,17,18)
InChIKeyDSKWIYBMWITHPF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.78
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 81179768) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID81179768
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)CC1(CN)CCC1)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-11(12-5-2-3-8-16-12)17-13(18)9-14(10-15)6-4-7-14/h2-3,5,8,11H,4,6-7,9-10,15H2,1H3,(H,17,18)
InChIKeyDSKWIYBMWITHPF-UHFFFAOYSA-N
XLogP1.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 64686366
1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 81179767
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
4-amino-3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butanamide
CID 103156393
2-(tert-butylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81406863
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide (CID 81179768) is 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide is CC(NC(=O)CC1(CN)CCC1)c1ccccn1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is DSKWIYBMWITHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(12-5-2-3-8-16-12)17-13(18)9-14(10-15)6-4-7-14/h2-3,5,8,11H,4,6-7,9-10,15H2,1H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 247.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 81179768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).