1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide

C13H23N3O — CID 80502397

IUPAC1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCC(C)(C)N(C)C)C1
InChIInChI=1S/C13H23N3O/c1-10-6-13(7-10,8-14)11(17)15-9-12(2,3)16(4)5/h10H,6-7,9H2,1-5H3,(H,15,17)
InChIKeyDUYPCIAHNDYVNU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.38
Rot. Bonds4

About 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide

1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80502397) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80502397
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCC(C)(C)N(C)C)C1
InChIInChI=1S/C13H23N3O/c1-10-6-13(7-10,8-14)11(17)15-9-12(2,3)16(4)5/h10H,6-7,9H2,1-5H3,(H,15,17)
InChIKeyDUYPCIAHNDYVNU-UHFFFAOYSA-N
XLogP1.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 80598633
1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80588679
1-cyano-3-methyl-N-(2-methylprop-2-enyl)cyclobutane-1-carboxamide
CID 114617272
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 115692845
N-(2-chloroprop-2-enyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 115693600
1-cyano-3-methyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80598099
N-[(E)-but-2-enyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 131239055
1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502256
1-cyano-N-(2,2-dimethylpropyl)cyclopropane-1-carboxamide
CID 59860392
1-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylcyclobutane-1-carboxamide
CID 103770292
1-cyano-N-(3,3-dimethylbutan-2-yl)-3-methylcyclobutane-1-carboxamide
CID 104828325
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 114142909

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide (CID 80502397) is 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCC(C)(C)N(C)C)C1.
What is the InChIKey of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is DUYPCIAHNDYVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-6-13(7-10,8-14)11(17)15-9-12(2,3)16(4)5/h10H,6-7,9H2,1-5H3,(H,15,17).
What are the key properties of 1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide?
1-cyano-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.38, 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]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80502397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).