N-(cyanomethyl)-N-propylcyclooctanecarboxamide

C14H24N2O — CID 65018468

IUPACN-(cyanomethyl)-N-propylcyclooctanecarboxamide
SMILESCCCN(CC#N)C(=O)C1CCCCCCC1
InChIInChI=1S/C14H24N2O/c1-2-11-16(12-10-15)14(17)13-8-6-4-3-5-7-9-13/h13H,2-9,11-12H2,1H3
InChIKeyZTPLAZZOGHPSKZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.11
Rot. Bonds4

About N-(cyanomethyl)-N-propylcyclooctanecarboxamide

N-(cyanomethyl)-N-propylcyclooctanecarboxamide (PubChem CID 65018468) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propylcyclooctanecarboxamide
PubChem CID65018468
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(cyanomethyl)-N-propylcyclooctanecarboxamide
SMILESCCCN(CC#N)C(=O)C1CCCCCCC1
InChIInChI=1S/C14H24N2O/c1-2-11-16(12-10-15)14(17)13-8-6-4-3-5-7-9-13/h13H,2-9,11-12H2,1H3
InChIKeyZTPLAZZOGHPSKZ-UHFFFAOYSA-N
XLogP3.11
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-propylcycloheptanecarboxamide
CID 62586503
N-(cyanomethyl)-N-propylcyclohexanecarboxamide
CID 61226458
N-propyl-N-prop-2-ynylcycloheptanecarboxamide
CID 78917353
(1S)-N-(cyanomethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 125145424
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclohexane-1-carboxamide
CID 107178551
N-(cyanomethyl)-2-cyclopentyl-N-propylacetamide
CID 61381682
N-(2-hydroxyethyl)-N-propylcyclopentanecarboxamide
CID 60670732
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-(cyanomethyl)-2,2-dimethyl-N-propylcyclopentane-1-carboxamide
CID 104917287

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propylcyclooctanecarboxamide?
The IUPAC name of N-(cyanomethyl)-N-propylcyclooctanecarboxamide (CID 65018468) is N-(cyanomethyl)-N-propylcyclooctanecarboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-propylcyclooctanecarboxamide?
The canonical SMILES for N-(cyanomethyl)-N-propylcyclooctanecarboxamide is CCCN(CC#N)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(cyanomethyl)-N-propylcyclooctanecarboxamide?
The InChIKey is ZTPLAZZOGHPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-11-16(12-10-15)14(17)13-8-6-4-3-5-7-9-13/h13H,2-9,11-12H2,1H3.
What are the key properties of N-(cyanomethyl)-N-propylcyclooctanecarboxamide?
N-(cyanomethyl)-N-propylcyclooctanecarboxamide has a molecular weight of 236.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propylcyclooctanecarboxamide is sourced from PubChem (CID 65018468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).