ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine

C14H20N2O — CID 156727587

IUPACethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine
SMILESCC.COc1cc2c3c(ccn3CC(N)C2)c1
InChIInChI=1S/C12H14N2O.C2H6/c1-15-11-5-8-2-3-14-7-10(13)4-9(6-11)12(8)14;1-2/h2-3,5-6,10H,4,7,13H2,1H3;1-2H3
InChIKeyPLIDJMOAGDIJCG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.56
Rot. Bonds1

About ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine

ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine (PubChem CID 156727587) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine.

Molecular Properties

Compound Nameethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine
PubChem CID156727587
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine
SMILESCC.COc1cc2c3c(ccn3CC(N)C2)c1
InChIInChI=1S/C12H14N2O.C2H6/c1-15-11-5-8-2-3-14-7-10(13)4-9(6-11)12(8)14;1-2/h2-3,5-6,10H,4,7,13H2,1H3;1-2H3
InChIKeyPLIDJMOAGDIJCG-UHFFFAOYSA-N
XLogP2.56
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine with MolForge

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Related Compounds

5,7-dimethoxyindol-1-amine
CID 96624254
1-[1-(6-methoxynaphthalen-2-yl)ethyl]azetidin-3-amine
CID 65244855
7-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-amine
CID 105454435
(2S)-2-(5-methoxy-7-methylindol-1-yl)-N,N-dimethylcyclopropan-1-amine
CID 170003091
tert-butyl 5-methoxy-7-methylindole-1-carboxylate
CID 100913508
2-(5,7-dimethoxyindol-1-yl)ethanamine
CID 82494071
(6R)-1,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 129392139
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82605158
3-(4-methoxyphenyl)sulfanylcyclobutan-1-amine
CID 117033267
3-(5,7-dimethoxyindol-1-yl)-N,N-dimethylcyclobutan-1-amine
CID 162388725
4-(5,7-dimethoxyindol-1-yl)butan-1-amine
CID 83968623
1-[1-(6-methoxynaphthalen-2-yl)ethyl]piperidin-4-amine
CID 43130766

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine?
The IUPAC name of ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine (CID 156727587) is ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine.
What is the SMILES notation for ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine?
The canonical SMILES for ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine is CC.COc1cc2c3c(ccn3CC(N)C2)c1.
What is the InChIKey of ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine?
The InChIKey is PLIDJMOAGDIJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C2H6/c1-15-11-5-8-2-3-14-7-10(13)4-9(6-11)12(8)14;1-2/h2-3,5-6,10H,4,7,13H2,1H3;1-2H3.
What are the key properties of ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine?
ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine has a molecular weight of 232.33 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-10-amine is sourced from PubChem (CID 156727587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).