2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide

C12H21N3O — CID 65493629

IUPAC2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC1(CC#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)7-15(8-11(14)16)9-12(3-4-12)5-6-13/h10H,3-5,7-9H2,1-2H3,(H2,14,16)
InChIKeyBYGNKHQNHWOGED-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds7

About 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide

2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide (PubChem CID 65493629) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
PubChem CID65493629
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)CC1(CC#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)7-15(8-11(14)16)9-12(3-4-12)5-6-13/h10H,3-5,7-9H2,1-2H3,(H2,14,16)
InChIKeyBYGNKHQNHWOGED-UHFFFAOYSA-N
XLogP1.12
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide (CID 65493629) is 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)CC1(CC#N)CC1.
What is the InChIKey of 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is BYGNKHQNHWOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)7-15(8-11(14)16)9-12(3-4-12)5-6-13/h10H,3-5,7-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide?
2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 65493629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).