1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine

C18H20N2 — CID 102196246

IUPAC1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
SMILESCC12CCC(C)(c3cc(N)ccc31)c1cc(N)ccc12
InChIInChI=1S/C18H20N2/c1-17-7-8-18(2,15-9-11(19)3-5-13(15)17)16-10-12(20)4-6-14(16)17/h3-6,9-10H,7-8,19-20H2,1-2H3
InChIKeyRMCUHGUKEJSKGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.57
Rot. Bonds

About 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine

1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine (PubChem CID 102196246) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine.

Molecular Properties

Compound Name1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
PubChem CID102196246
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine
SMILESCC12CCC(C)(c3cc(N)ccc31)c1cc(N)ccc12
InChIInChI=1S/C18H20N2/c1-17-7-8-18(2,15-9-11(19)3-5-13(15)17)16-10-12(20)4-6-14(16)17/h3-6,9-10H,7-8,19-20H2,1-2H3
InChIKeyRMCUHGUKEJSKGW-UHFFFAOYSA-N
XLogP3.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 84690977
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CID 84657888
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4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diamine
CID 67055545
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CID 18983575

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine?
The IUPAC name of 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine (CID 102196246) is 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine.
What is the SMILES notation for 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine?
The canonical SMILES for 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine is CC12CCC(C)(c3cc(N)ccc31)c1cc(N)ccc12.
What is the InChIKey of 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine?
The InChIKey is RMCUHGUKEJSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-17-7-8-18(2,15-9-11(19)3-5-13(15)17)16-10-12(20)4-6-14(16)17/h3-6,9-10H,7-8,19-20H2,1-2H3.
What are the key properties of 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine?
1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine has a molecular weight of 264.37 g/mol, XLogP of 3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-4,12-diamine is sourced from PubChem (CID 102196246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).