1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C14H19N — CID 143727519

IUPAC1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCN1Cc2cccc3c2C1(C)CCCC3
InChIInChI=1S/C14H19N/c1-14-9-4-3-6-11-7-5-8-12(13(11)14)10-15(14)2/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyMFWMNUAAYGHMAW-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.07
Rot. Bonds

About 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 143727519) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID143727519
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCN1Cc2cccc3c2C1(C)CCCC3
InChIInChI=1S/C14H19N/c1-14-9-4-3-6-11-7-5-8-12(13(11)14)10-15(14)2/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyMFWMNUAAYGHMAW-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-1-thiol
CID 143727529
9b-methyl-1,2,3,5-tetrahydropyrrolo[2,1-a]isoindole;ethane
CID 176714450
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
1-hydroperoxytricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
CID 134995789
8-fluoro-8-methyl-6,7-dihydro-5H-naphthalene-1-carbaldehyde
CID 84719917
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 84729237
1,8-dimethyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84721905
1,2,3,4-tetrahydronaphthalene
CID 174531863
5-chloro-4-fluoro-4-methyl-2,3-dihydro-1H-naphthalene
CID 84721040
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 143727519) is 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CN1Cc2cccc3c2C1(C)CCCC3.
What is the InChIKey of 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is MFWMNUAAYGHMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-14-9-4-3-6-11-7-5-8-12(13(11)14)10-15(14)2/h5,7-8H,3-4,6,9-10H2,1-2H3.
What are the key properties of 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 201.31 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 143727519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).