1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide

C11H19N3O — CID 80598633

IUPAC1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)C1(C#N)CC1
InChIInChI=1S/C11H19N3O/c1-10(2,14(3)4)8-13-9(15)11(7-12)5-6-11/h5-6,8H2,1-4H3,(H,13,15)
InChIKeyRFFBXMAUFOCLGR-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.75
Rot. Bonds4

About 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide

1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide (PubChem CID 80598633) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
PubChem CID80598633
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
SMILESCN(C)C(C)(C)CNC(=O)C1(C#N)CC1
InChIInChI=1S/C11H19N3O/c1-10(2,14(3)4)8-13-9(15)11(7-12)5-6-11/h5-6,8H2,1-4H3,(H,13,15)
InChIKeyRFFBXMAUFOCLGR-UHFFFAOYSA-N
XLogP0.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide (CID 80598633) is 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide is CN(C)C(C)(C)CNC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
The InChIKey is RFFBXMAUFOCLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,14(3)4)8-13-9(15)11(7-12)5-6-11/h5-6,8H2,1-4H3,(H,13,15).
What are the key properties of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide?
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80598633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).