2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide

C14H27N3O — CID 79854985

IUPAC2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESNC1(CC(=O)NCCN2CCCCCC2)CCC1
InChIInChI=1S/C14H27N3O/c15-14(6-5-7-14)12-13(18)16-8-11-17-9-3-1-2-4-10-17/h1-12,15H2,(H,16,18)
InChIKeyJOTSUNZQVVGIJW-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.25
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide

2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide (PubChem CID 79854985) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
PubChem CID79854985
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide
SMILESNC1(CC(=O)NCCN2CCCCCC2)CCC1
InChIInChI=1S/C14H27N3O/c15-14(6-5-7-14)12-13(18)16-8-11-17-9-3-1-2-4-10-17/h1-12,15H2,(H,16,18)
InChIKeyJOTSUNZQVVGIJW-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 64685760
2-[1-(aminomethyl)cyclobutyl]-N-[2-(azepan-1-yl)ethyl]acetamide
CID 81171786
1-amino-N-[2-(azepan-1-yl)ethyl]cyclobutane-1-carboxamide
CID 81171639
2-(1-aminocyclobutyl)-N-(2-aminoethyl)acetamide
CID 79853853
2-(1-aminocyclobutyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112701652
1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 54867602
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76947376
1-[2-[[2-(1-aminocyclobutyl)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500471
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide (CID 79854985) is 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide is NC1(CC(=O)NCCN2CCCCCC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
The InChIKey is JOTSUNZQVVGIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-14(6-5-7-14)12-13(18)16-8-11-17-9-3-1-2-4-10-17/h1-12,15H2,(H,16,18).
What are the key properties of 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide?
2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide has a molecular weight of 253.39 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[2-(azepan-1-yl)ethyl]acetamide is sourced from PubChem (CID 79854985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).