2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide

C12H21N3O — CID 64679480

IUPAC2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide
SMILESCCC(CC#N)NC(=O)CC1(N)CCCC1
InChIInChI=1S/C12H21N3O/c1-2-10(5-8-13)15-11(16)9-12(14)6-3-4-7-12/h10H,2-7,9,14H2,1H3,(H,15,16)
InChIKeyQSDAJSSYHXYSAO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.46
Rot. Bonds5

About 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide

2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide (PubChem CID 64679480) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide
PubChem CID64679480
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide
SMILESCCC(CC#N)NC(=O)CC1(N)CCCC1
InChIInChI=1S/C12H21N3O/c1-2-10(5-8-13)15-11(16)9-12(14)6-3-4-7-12/h10H,2-7,9,14H2,1H3,(H,15,16)
InChIKeyQSDAJSSYHXYSAO-UHFFFAOYSA-N
XLogP1.46
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide (CID 64679480) is 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide is CCC(CC#N)NC(=O)CC1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide?
The InChIKey is QSDAJSSYHXYSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-10(5-8-13)15-11(16)9-12(14)6-3-4-7-12/h10H,2-7,9,14H2,1H3,(H,15,16).
What are the key properties of 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide?
2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(1-cyanobutan-2-yl)acetamide is sourced from PubChem (CID 64679480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).