N-(3-cyanopropyl)cyclohexanecarboxamide

C11H18N2O — CID 62666827

IUPACN-(3-cyanopropyl)cyclohexanecarboxamide
SMILESN#CCCCNC(=O)C1CCCCC1
InChIInChI=1S/C11H18N2O/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h10H,1-7,9H2,(H,13,14)
InChIKeyREQWDRWSMNOXDH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.99
Rot. Bonds4

About N-(3-cyanopropyl)cyclohexanecarboxamide

N-(3-cyanopropyl)cyclohexanecarboxamide (PubChem CID 62666827) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(3-cyanopropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)cyclohexanecarboxamide
PubChem CID62666827
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(3-cyanopropyl)cyclohexanecarboxamide
SMILESN#CCCCNC(=O)C1CCCCC1
InChIInChI=1S/C11H18N2O/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h10H,1-7,9H2,(H,13,14)
InChIKeyREQWDRWSMNOXDH-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2-cyanoacetyl)amino]propyl]cyclopentanecarboxamide
CID 108924397
3-amino-N-(3-cyanopropyl)cyclopentane-1-carboxamide
CID 66009224
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844
N-(3-aminopropyl)cyclohexanecarboxamide
CID 24699018
N-(3-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64904761
N-(3-cyanopropyl)oxane-2-carboxamide
CID 62667376
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-(3-cyanopropyl)-1,1-dioxothiane-2-carboxamide
CID 104519274
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-cyanopropyl)cyclohexanecarboxamide (CID 62666827) is N-(3-cyanopropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-cyanopropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-cyanopropyl)cyclohexanecarboxamide is N#CCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-(3-cyanopropyl)cyclohexanecarboxamide?
The InChIKey is REQWDRWSMNOXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h10H,1-7,9H2,(H,13,14).
What are the key properties of N-(3-cyanopropyl)cyclohexanecarboxamide?
N-(3-cyanopropyl)cyclohexanecarboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)cyclohexanecarboxamide is sourced from PubChem (CID 62666827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).