1-cyano-N-hexylcyclobutane-1-carboxamide

C12H20N2O — CID 78994999

IUPAC1-cyano-N-hexylcyclobutane-1-carboxamide
SMILESCCCCCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-9-14-11(15)12(10-13)7-6-8-12/h2-9H2,1H3,(H,14,15)
InChIKeyIEHFUVLOVRAJMS-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.38
Rot. Bonds6

About 1-cyano-N-hexylcyclobutane-1-carboxamide

1-cyano-N-hexylcyclobutane-1-carboxamide (PubChem CID 78994999) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyano-N-hexylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-hexylcyclobutane-1-carboxamide
PubChem CID78994999
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyano-N-hexylcyclobutane-1-carboxamide
SMILESCCCCCCNC(=O)C1(C#N)CCC1
InChIInChI=1S/C12H20N2O/c1-2-3-4-5-9-14-11(15)12(10-13)7-6-8-12/h2-9H2,1H3,(H,14,15)
InChIKeyIEHFUVLOVRAJMS-UHFFFAOYSA-N
XLogP2.38
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.38
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

1-cyano-N-(4-methoxybutyl)cyclobutane-1-carboxamide
CID 78994604
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350
1-cyano-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 78994504
1-cyano-N-(4-methylpentyl)cyclopentane-1-carboxamide
CID 60738598
1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534
N-(2-butoxyethyl)-1-cyanocyclopropane-1-carboxamide
CID 80592219
1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
CID 47354865
1-cyano-N-[2-(dimethylcarbamoylamino)ethyl]cyclobutane-1-carboxamide
CID 83109882
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
1-cyano-N-[2-(methylsulfamoyl)ethyl]cyclobutane-1-carboxamide
CID 102685121
1-cyano-N-(3-cyclopropylpropyl)cyclopentane-1-carboxamide
CID 115635940
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-hexylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-hexylcyclobutane-1-carboxamide (CID 78994999) is 1-cyano-N-hexylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-hexylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-hexylcyclobutane-1-carboxamide is CCCCCCNC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-hexylcyclobutane-1-carboxamide?
The InChIKey is IEHFUVLOVRAJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-3-4-5-9-14-11(15)12(10-13)7-6-8-12/h2-9H2,1H3,(H,14,15).
What are the key properties of 1-cyano-N-hexylcyclobutane-1-carboxamide?
1-cyano-N-hexylcyclobutane-1-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-hexylcyclobutane-1-carboxamide is sourced from PubChem (CID 78994999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).