1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane

C14H30N4+2 — CID 10577560

IUPAC1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane
SMILESC[N+]12CCCN(CC[N+]3(C)CCCN(CC1)C3)C2
InChIInChI=1S/C14H30N4/c1-17-9-3-5-15(13-17)8-12-18(2)10-4-6-16(14-18)7-11-17/h3-14H2,1-2H3/q+2
InChIKeyZMXFTCCFPFIOPW-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.22
Rot. Bonds

About 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane

1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane (PubChem CID 10577560) has the molecular formula C14H30N4+2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane.

Molecular Properties

Compound Name1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane
PubChem CID10577560
Molecular FormulaC14H30N4+2
Molecular Weight254.42 g/mol
Exact Mass254.25
IUPAC Name1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane
SMILESC[N+]12CCCN(CC[N+]3(C)CCCN(CC1)C3)C2
InChIInChI=1S/C14H30N4/c1-17-9-3-5-15(13-17)8-12-18(2)10-4-6-16(14-18)7-11-17/h3-14H2,1-2H3/q+2
InChIKeyZMXFTCCFPFIOPW-UHFFFAOYSA-N
XLogP0.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide
CID 15849982
carbanide;1-methyl-4-aza-1-azoniabicyclo[2.2.2]octane
CID 160568966
1-methyl-4-aza-1-azoniabicyclo[2.2.2]octane;hydroxide;hydrate
CID 173061334
CID 123570025
CID 123570025
1,3-dimethyl-4-aza-1-azoniabicyclo[2.2.2]octane;bromide;hydrobromide
CID 173386038
(15R,16R)-1,8-dimethyl-4,11-diaza-1,8-diazoniatetracyclo[6.6.2.04,16.011,15]hexadecane
CID 12023128
3-butan-2-yl-1,1-dimethyl-1,3-diazinan-1-ium
CID 162279621
4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese
CID 158152491
dichloromanganese;methyl-[3-(4-octyl-4,8-diaza-1-azoniabicyclo[6.2.1]undecan-1-yl)propyl]azanide
CID 59584832
(5S,7R)-1-methyl-3-aza-1-azoniatricyclo[3.3.1.13,7]decan-6-ol
CID 10613832
1,1-dimethylazetidin-1-ium;dihydroiodide
CID 146173684
4-methyl-1,4-diazoniabicyclo[2.2.2]octane-1-carboxamide
CID 57271942

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane?
The IUPAC name of 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane (CID 10577560) is 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane.
What is the SMILES notation for 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane?
The canonical SMILES for 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane is C[N+]12CCCN(CC[N+]3(C)CCCN(CC1)C3)C2.
What is the InChIKey of 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane?
The InChIKey is ZMXFTCCFPFIOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4/c1-17-9-3-5-15(13-17)8-12-18(2)10-4-6-16(14-18)7-11-17/h3-14H2,1-2H3/q+2.
What are the key properties of 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane?
1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane has a molecular weight of 254.42 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4,11-diaza-1,8-diazoniatricyclo[9.3.1.14,8]hexadecane is sourced from PubChem (CID 10577560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).