1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide

C15H26N2O2 — CID 107199530

IUPAC1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide
SMILESCN(CCCCCO)C(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-17(11-7-4-8-12-18)14(19)15(13-16)9-5-2-3-6-10-15/h18H,2-12H2,1H3
InChIKeyCSHQBBWYUDWOOW-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.47
Rot. Bonds6

About 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide

1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide (PubChem CID 107199530) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide
PubChem CID107199530
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide
SMILESCN(CCCCCO)C(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H26N2O2/c1-17(11-7-4-8-12-18)14(19)15(13-16)9-5-2-3-6-10-15/h18H,2-12H2,1H3
InChIKeyCSHQBBWYUDWOOW-UHFFFAOYSA-N
XLogP2.47
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
1-cyano-N-(2-methoxyethyl)-N-methylcyclohexane-1-carboxamide
CID 61461914
1-cyano-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115759979
1-cyano-N-(3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 80592807
1-cyano-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61461375
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788
1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
1-cyano-N-methyl-N-(2-methylsulfanylethyl)cyclobutane-1-carboxamide
CID 112698091
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcycloheptane-1-carboxamide
CID 105417802
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
1-cyano-N-(3-hydroxybutyl)-N-methylcyclobutane-1-carboxamide
CID 111758296
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide (CID 107199530) is 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide is CN(CCCCCO)C(=O)C1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide?
The InChIKey is CSHQBBWYUDWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-17(11-7-4-8-12-18)14(19)15(13-16)9-5-2-3-6-10-15/h18H,2-12H2,1H3.
What are the key properties of 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide?
1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5-hydroxypentyl)-N-methylcycloheptane-1-carboxamide is sourced from PubChem (CID 107199530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).