undecylidenecyanamide

C12H22N2 — CID 21412181

IUPACundecylidenecyanamide
SMILESCCCCCCCCCC/C=N/C#N
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13/h11H,2-10H2,1H3/b14-11+
InChIKeyGIAAXSMRZATHOA-SDNWHVSQSA-N
MW194.32 g/mol
LogP4.07
Rot. Bonds9

About undecylidenecyanamide

undecylidenecyanamide (PubChem CID 21412181) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is undecylidenecyanamide.

Molecular Properties

Compound Nameundecylidenecyanamide
PubChem CID21412181
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Nameundecylidenecyanamide
SMILESCCCCCCCCCC/C=N/C#N
InChIInChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13/h11H,2-10H2,1H3/b14-11+
InChIKeyGIAAXSMRZATHOA-SDNWHVSQSA-N
XLogP4.07
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

octacosylidenecyanamide
CID 21412222
butylidenecyanamide
CID 21412158
N-(pentadecylideneamino)pentadecan-1-imine
CID 88831518
N-methyloctadecan-1-imine
CID 54409483
(NE)-N-octylidenehydroxylamine
CID 5385260
N-hexyldecan-1-imine
CID 174719675
N-tetradecyltridecan-1-imine
CID 175147598
N-pentacosylhexacosan-1-imine
CID 21412184
N-hexacosylheptacosan-1-imine
CID 88829034
N-octylideneformamide
CID 57254317
(E)-undec-2-enenitrile
CID 6538104
N-dodecylideneformamide
CID 57101049

Frequently Asked Questions

What is the IUPAC name of undecylidenecyanamide?
The IUPAC name of undecylidenecyanamide (CID 21412181) is undecylidenecyanamide.
What is the SMILES notation for undecylidenecyanamide?
The canonical SMILES for undecylidenecyanamide is CCCCCCCCCC/C=N/C#N.
What is the InChIKey of undecylidenecyanamide?
The InChIKey is GIAAXSMRZATHOA-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13/h11H,2-10H2,1H3/b14-11+.
What are the key properties of undecylidenecyanamide?
undecylidenecyanamide has a molecular weight of 194.32 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecylidenecyanamide is sourced from PubChem (CID 21412181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).