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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Related Compounds

2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
2-[[1-(cyanomethyl)cyclopropyl]methyl-propan-2-ylamino]acetic acid
CID 65496533
methyl 2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 65498072
2-[[1-(cyanomethyl)cyclopropyl]methyl-(2-methylpropyl)amino]acetamide
CID 65493629
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(5-methylhexan-2-yl)acetamide
CID 115758566
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
(2R)-N-(1-cyanocyclohexyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9050018
2-[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclopropyl]acetonitrile
CID 79850636
2-[1-[[3-aminopropyl(methyl)amino]methyl]cyclopropyl]acetonitrile
CID 115319150
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475

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).