2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide

C12H21N3O — CID 65493215

IUPAC2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC1(CC#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)14-11(16)8-15(3)9-12(4-5-12)6-7-13/h10H,4-6,8-9H2,1-3H3,(H,14,16)
InChIKeyWWSBIVXIVHBBNE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds6

About 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide

2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 65493215) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID65493215
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC1(CC#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)14-11(16)8-15(3)9-12(4-5-12)6-7-13/h10H,4-6,8-9H2,1-3H3,(H,14,16)
InChIKeyWWSBIVXIVHBBNE-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
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-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide (CID 65493215) is 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC1(CC#N)CC1.
What is the InChIKey of 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is WWSBIVXIVHBBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)14-11(16)8-15(3)9-12(4-5-12)6-7-13/h10H,4-6,8-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide?
2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 6 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-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 65493215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).