isocyanocyclododecane

C13H23N — CID 2757985

IUPACisocyanocyclododecane
SMILES[C-]#[N+]C1CCCCCCCCCCC1
InChIInChI=1S/C13H23N/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2
InChIKeyYONLKDOTMXIUIN-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.58
Rot. Bonds

About isocyanocyclododecane

isocyanocyclododecane (PubChem CID 2757985) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is isocyanocyclododecane.

Molecular Properties

Compound Nameisocyanocyclododecane
PubChem CID2757985
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Nameisocyanocyclododecane
SMILES[C-]#[N+]C1CCCCCCCCCCC1
InChIInChI=1S/C13H23N/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2
InChIKeyYONLKDOTMXIUIN-UHFFFAOYSA-N
XLogP4.58
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-isocyanopiperidine
CID 84772504
1-tert-butyl-3-isocyanopiperidine
CID 84765134
(1-isocyanocyclopropyl)cycloheptane
CID 84764726
carbon monoxide;N,N'-dicyclohexylethane-1,2-diimine;iron
CID 533593
1,2,5,6,9,10-hexabromocyclooctadecane
CID 101354867
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
cyclononylcycloicosane
CID 123187062
aminoazanium;cyclohexylazanium
CID 21317022
N-(1-isocyanocyclobutyl)cyclohexanamine
CID 123251847
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414

Frequently Asked Questions

What is the IUPAC name of isocyanocyclododecane?
The IUPAC name of isocyanocyclododecane (CID 2757985) is isocyanocyclododecane.
What is the SMILES notation for isocyanocyclododecane?
The canonical SMILES for isocyanocyclododecane is [C-]#[N+]C1CCCCCCCCCCC1.
What is the InChIKey of isocyanocyclododecane?
The InChIKey is YONLKDOTMXIUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2.
What are the key properties of isocyanocyclododecane?
isocyanocyclododecane has a molecular weight of 193.33 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanocyclododecane is sourced from PubChem (CID 2757985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).