1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide

C15H27N3O — CID 61459075

IUPAC1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H27N3O/c1-14(2,12-18(3)4)11-17-13(19)15(10-16)8-6-5-7-9-15/h5-9,11-12H2,1-4H3,(H,17,19)
InChIKeyRGCGYIOTBPEYPC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.16
Rot. Bonds5

About 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide

1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide (PubChem CID 61459075) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
PubChem CID61459075
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H27N3O/c1-14(2,12-18(3)4)11-17-13(19)15(10-16)8-6-5-7-9-15/h5-9,11-12H2,1-4H3,(H,17,19)
InChIKeyRGCGYIOTBPEYPC-UHFFFAOYSA-N
XLogP2.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide (CID 61459075) is 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide is CN(C)CC(C)(C)CNC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
The InChIKey is RGCGYIOTBPEYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-14(2,12-18(3)4)11-17-13(19)15(10-16)8-6-5-7-9-15/h5-9,11-12H2,1-4H3,(H,17,19).
What are the key properties of 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide?
1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 61459075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).