3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine

C15H20N2 — CID 116983186

IUPAC3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc2c3c(ccn3CCC2)c1
InChIInChI=1S/C15H20N2/c1-11(10-16)7-12-8-13-3-2-5-17-6-4-14(9-12)15(13)17/h4,6,8-9,11H,2-3,5,7,10,16H2,1H3
InChIKeyZDNWDNOLXCTARD-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.72
Rot. Bonds3

About 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine

3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine (PubChem CID 116983186) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine
PubChem CID116983186
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc2c3c(ccn3CCC2)c1
InChIInChI=1S/C15H20N2/c1-11(10-16)7-12-8-13-3-2-5-17-6-4-14(9-12)15(13)17/h4,6,8-9,11H,2-3,5,7,10,16H2,1H3
InChIKeyZDNWDNOLXCTARD-UHFFFAOYSA-N
XLogP2.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ylmethanol
CID 116983216
6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 116983194
3-(2,8-dimethylquinolin-6-yl)-2-methylpropan-1-amine
CID 82576782
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-yl]propane-1,3-diamine
CID 83931724
2-methyl-3-phenylpropan-1-amine
CID 12672558
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
2-methyl-3-quinolin-3-ylpropan-1-amine
CID 64664749
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine
CID 64664962
4-methyl-9-(2-methylpropyl)-1,2,3,5,6,7-hexahydro-4-benzazonine
CID 170264130

Frequently Asked Questions

What is the IUPAC name of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine (CID 116983186) is 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine is CC(CN)Cc1cc2c3c(ccn3CCC2)c1.
What is the InChIKey of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine?
The InChIKey is ZDNWDNOLXCTARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11(10-16)7-12-8-13-3-2-5-17-6-4-14(9-12)15(13)17/h4,6,8-9,11H,2-3,5,7,10,16H2,1H3.
What are the key properties of 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine?
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 116983186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).