1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide

C16H26N2O — CID 107413298

IUPAC1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
SMILESCC1CCC(CNC(=O)C2(C#N)CCCCCC2)C1
InChIInChI=1S/C16H26N2O/c1-13-6-7-14(10-13)11-18-15(19)16(12-17)8-4-2-3-5-9-16/h13-14H,2-11H2,1H3,(H,18,19)
InChIKeyCZGGHCPIYKIPGK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.40
Rot. Bonds3

About 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide

1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide (PubChem CID 107413298) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
PubChem CID107413298
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
SMILESCC1CCC(CNC(=O)C2(C#N)CCCCCC2)C1
InChIInChI=1S/C16H26N2O/c1-13-6-7-14(10-13)11-18-15(19)16(12-17)8-4-2-3-5-9-16/h13-14H,2-11H2,1H3,(H,18,19)
InChIKeyCZGGHCPIYKIPGK-UHFFFAOYSA-N
XLogP3.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
1-cyano-N-(thian-4-ylmethyl)cyclobutane-1-carboxamide
CID 115635699
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
1-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103809820
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80592027
1-[(3-methylcyclopentyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107414521
1-cyano-3-methyl-N-[(2-methylcyclopropyl)methyl]cyclobutane-1-carboxamide
CID 115692845
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide (CID 107413298) is 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide is CC1CCC(CNC(=O)C2(C#N)CCCCCC2)C1.
What is the InChIKey of 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide?
The InChIKey is CZGGHCPIYKIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-7-14(10-13)11-18-15(19)16(12-17)8-4-2-3-5-9-16/h13-14H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide?
1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 107413298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).