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

C16H22N2 — CID 84630620

IUPAC2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cn2c3c(cccc13)CCC2
InChIInChI=1S/C16H22N2/c1-16(2,11-17-3)14-10-18-9-5-7-12-6-4-8-13(14)15(12)18/h4,6,8,10,17H,5,7,9,11H2,1-3H3
InChIKeyHULRRJWBBRFMPJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.08
Rot. Bonds3

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

2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 84630620) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID84630620
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1cn2c3c(cccc13)CCC2
InChIInChI=1S/C16H22N2/c1-16(2,11-17-3)14-10-18-9-5-7-12-6-4-8-13(14)15(12)18/h4,6,8,10,17H,5,7,9,11H2,1-3H3
InChIKeyHULRRJWBBRFMPJ-UHFFFAOYSA-N
XLogP3.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine with MolForge

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Related Compounds

2-(7-chloro-1-methylindol-3-yl)-N,2-dimethylpropan-1-amine
CID 84634147
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-2-amine
CID 116983721
N-tert-butyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132388
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N-methylaniline
CID 116983734
N-[(2R)-butan-2-yl]-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132384
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethyl formate
CID 174389343
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-3-hydroxypropan-2-one
CID 58329544
3-amino-1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propan-1-one
CID 96801563
4-oxo-N-[(1R)-1-phenylethyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132427
N-[3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)propyl]acetamide
CID 16743294
[1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclobutyl]methanamine
CID 116983772
1-[1-(4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)cyclopropyl]-N-methylmethanamine
CID 84625165

Frequently Asked Questions

What is the IUPAC name of 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine (CID 84630620) is 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1cn2c3c(cccc13)CCC2.
What is the InChIKey of 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is HULRRJWBBRFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-16(2,11-17-3)14-10-18-9-5-7-12-6-4-8-13(14)15(12)18/h4,6,8,10,17H,5,7,9,11H2,1-3H3.
What are the key properties of 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine?
2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 84630620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).