N-(cyanomethyl)-N-propylcyclohexanecarboxamide

C12H20N2O — CID 61226458

IUPACN-(cyanomethyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(CC#N)C(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-2-9-14(10-8-13)12(15)11-6-4-3-5-7-11/h11H,2-7,9-10H2,1H3
InChIKeyQSVGFAVIOVYMJT-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds4

About N-(cyanomethyl)-N-propylcyclohexanecarboxamide

N-(cyanomethyl)-N-propylcyclohexanecarboxamide (PubChem CID 61226458) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propylcyclohexanecarboxamide
PubChem CID61226458
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(cyanomethyl)-N-propylcyclohexanecarboxamide
SMILESCCCN(CC#N)C(=O)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-2-9-14(10-8-13)12(15)11-6-4-3-5-7-11/h11H,2-7,9-10H2,1H3
InChIKeyQSVGFAVIOVYMJT-UHFFFAOYSA-N
XLogP2.33
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
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-propylcyclooctanecarboxamide
CID 65018468
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
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
N-butyl-N-propylcyclopentanecarboxamide
CID 91693798
N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
CID 61224500

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propylcyclohexanecarboxamide?
The IUPAC name of N-(cyanomethyl)-N-propylcyclohexanecarboxamide (CID 61226458) is N-(cyanomethyl)-N-propylcyclohexanecarboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-propylcyclohexanecarboxamide?
The canonical SMILES for N-(cyanomethyl)-N-propylcyclohexanecarboxamide is CCCN(CC#N)C(=O)C1CCCCC1.
What is the InChIKey of N-(cyanomethyl)-N-propylcyclohexanecarboxamide?
The InChIKey is QSVGFAVIOVYMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-9-14(10-8-13)12(15)11-6-4-3-5-7-11/h11H,2-7,9-10H2,1H3.
What are the key properties of N-(cyanomethyl)-N-propylcyclohexanecarboxamide?
N-(cyanomethyl)-N-propylcyclohexanecarboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propylcyclohexanecarboxamide is sourced from PubChem (CID 61226458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).