2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine

C12H18N2 — CID 163544103

IUPAC2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine
SMILESCc1cc2c(n1CCN)C1CCC2C1
InChIInChI=1S/C12H18N2/c1-8-6-11-9-2-3-10(7-9)12(11)14(8)5-4-13/h6,9-10H,2-5,7,13H2,1H3
InChIKeyFDNQVLVGSRMPBY-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.12
Rot. Bonds2

About 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine

2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine (PubChem CID 163544103) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine
PubChem CID163544103
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine
SMILESCc1cc2c(n1CCN)C1CCC2C1
InChIInChI=1S/C12H18N2/c1-8-6-11-9-2-3-10(7-9)12(11)14(8)5-4-13/h6,9-10H,2-5,7,13H2,1H3
InChIKeyFDNQVLVGSRMPBY-UHFFFAOYSA-N
XLogP2.12
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-methyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036377
Indeno(1,2-b)pyrrole-1(4H)-ethanamine, alpha,7-dimethyl-, (S)-
CID 3045237
6-[1-(Trifluoromethyl)pyrrol-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 170417174
1-[1-(2-Bicyclo[2.2.1]heptanyl)ethyl]-2,5-dimethylpyrrole
CID 4423420
(1R,7S)-1,10,10-trimethyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-diene
CID 10965047
1-(5-methyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036391
1-(7-propan-2-yl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036404
1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 19036448
2-(4H-indeno[1,2-b]pyrrol-1-yl)ethanamine
CID 19036542
N-methyl-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-1-yl)propan-1-amine
CID 21491580
(2S)-1-(7-ethyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 54018465
1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
CID 57181949

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine?
The IUPAC name of 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine (CID 163544103) is 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine?
The canonical SMILES for 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine is Cc1cc2c(n1CCN)C1CCC2C1.
What is the InChIKey of 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine?
The InChIKey is FDNQVLVGSRMPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-6-11-9-2-3-10(7-9)12(11)14(8)5-4-13/h6,9-10H,2-5,7,13H2,1H3.
What are the key properties of 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine?
2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl)ethanamine is sourced from PubChem (CID 163544103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).