2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine

C17H24N2 — CID 116983316

IUPAC2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine
SMILESCc1cc2cc(CC(C)(C)CN)cc3c2n1CCC3
InChIInChI=1S/C17H24N2/c1-12-7-15-9-13(10-17(2,3)11-18)8-14-5-4-6-19(12)16(14)15/h7-9H,4-6,10-11,18H2,1-3H3
InChIKeyWWUKSJJPTFCKEN-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.42
Rot. Bonds3

About 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine

2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine (PubChem CID 116983316) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine
PubChem CID116983316
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine
SMILESCc1cc2cc(CC(C)(C)CN)cc3c2n1CCC3
InChIInChI=1S/C17H24N2/c1-12-7-15-9-13(10-17(2,3)11-18)8-14-5-4-6-19(12)16(14)15/h7-9H,4-6,10-11,18H2,1-3H3
InChIKeyWWUKSJJPTFCKEN-UHFFFAOYSA-N
XLogP3.42
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methanol
CID 116983338
3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)aniline
CID 116983332
2-methyl-6-(4-methylpiperazin-2-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 116983374
3-methyl-2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)butanenitrile
CID 116983403
2,2-dimethyl-3-naphthalen-2-ylpropan-1-amine;hydrochloride
CID 122240080
3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 83808870
2-methyl-1-azatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
CID 131864653
2-(3,5-dimethylphenyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-6-carbonitrile
CID 102210764
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
4-(3-amino-2,2-dimethylpropyl)-2,6-ditert-butylphenol
CID 20536288
3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)-2-methylpropan-1-amine
CID 116983186
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-ylmethanol
CID 117275521

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine (CID 116983316) is 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine is Cc1cc2cc(CC(C)(C)CN)cc3c2n1CCC3.
What is the InChIKey of 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine?
The InChIKey is WWUKSJJPTFCKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12-7-15-9-13(10-17(2,3)11-18)8-14-5-4-6-19(12)16(14)15/h7-9H,4-6,10-11,18H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine?
2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)propan-1-amine is sourced from PubChem (CID 116983316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).