tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine

C16H16N2 — CID 18931735

IUPACtetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine
SMILESNc1ccc2c(c1N)C1CCC2c2ccccc21
InChIInChI=1S/C16H16N2/c17-14-8-7-13-11-5-6-12(15(13)16(14)18)10-4-2-1-3-9(10)11/h1-4,7-8,11-12H,5-6,17-18H2
InChIKeyGANXAVHSZSCWHZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.22
Rot. Bonds

About tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine

tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine (PubChem CID 18931735) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine.

Molecular Properties

Compound Nametetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine
PubChem CID18931735
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Nametetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine
SMILESNc1ccc2c(c1N)C1CCC2c2ccccc21
InChIInChI=1S/C16H16N2/c17-14-8-7-13-11-5-6-12(15(13)16(14)18)10-4-2-1-3-9(10)11/h1-4,7-8,11-12H,5-6,17-18H2
InChIKeyGANXAVHSZSCWHZ-UHFFFAOYSA-N
XLogP3.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Yellow No. 2
CID 6824
1-Aminopyrene
CID 15352
6-Aminochrysene
CID 17534
1-(2-(2-Methylphenyl)diazenyl)-2-naphthalenamine
CID 8578
2,3-Diaminonaphthalene
CID 69872
Xylidine
CID 56846457
2-Aminopyrene
CID 107762
4-Aminopyrene
CID 119443
1,2-Naphthalenediamine
CID 13648
(+-)-1,1'-Binaphthyl-2,2'-diamine
CID 20571
9,10-Phenanthrenediamine
CID 96564
3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
CID 83166

Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine?
The IUPAC name of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine (CID 18931735) is tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine.
What is the SMILES notation for tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine?
The canonical SMILES for tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine is Nc1ccc2c(c1N)C1CCC2c2ccccc21.
What is the InChIKey of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine?
The InChIKey is GANXAVHSZSCWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c17-14-8-7-13-11-5-6-12(15(13)16(14)18)10-4-2-1-3-9(10)11/h1-4,7-8,11-12H,5-6,17-18H2.
What are the key properties of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine?
tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 3.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene-3,4-diamine is sourced from PubChem (CID 18931735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).