1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide

C17H29N3O — CID 105417802

IUPAC1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C17H29N3O/c1-19(2)17(11-8-12-17)14-20(3)15(21)16(13-18)9-6-4-5-7-10-16/h4-12,14H2,1-3H3
InChIKeyZAKYLJJFVWYAGF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.79
Rot. Bonds4

About 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide

1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide (PubChem CID 105417802) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
PubChem CID105417802
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C17H29N3O/c1-19(2)17(11-8-12-17)14-20(3)15(21)16(13-18)9-6-4-5-7-10-16/h4-12,14H2,1-3H3
InChIKeyZAKYLJJFVWYAGF-UHFFFAOYSA-N
XLogP2.79
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide (CID 105417802) is 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)C1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
The InChIKey is ZAKYLJJFVWYAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19(2)17(11-8-12-17)14-20(3)15(21)16(13-18)9-6-4-5-7-10-16/h4-12,14H2,1-3H3.
What are the key properties of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide?
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide is sourced from PubChem (CID 105417802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).