10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene

C16H23N — CID 171606142

IUPAC10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
SMILESCN1Cc2cc(C(C)(C)C)cc3c2C(CC3)C1
InChIInChI=1S/C16H23N/c1-16(2,3)14-7-11-5-6-12-9-17(4)10-13(8-14)15(11)12/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyJAJVCBMVLMWNRE-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.46
Rot. Bonds

About 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene

10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene (PubChem CID 171606142) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene.

Molecular Properties

Compound Name10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
PubChem CID171606142
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
SMILESCN1Cc2cc(C(C)(C)C)cc3c2C(CC3)C1
InChIInChI=1S/C16H23N/c1-16(2,3)14-7-11-5-6-12-9-17(4)10-13(8-14)15(11)12/h7-8,12H,5-6,9-10H2,1-4H3
InChIKeyJAJVCBMVLMWNRE-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene with MolForge

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Related Compounds

5-tert-butyl-3,3-dideuterio-2-methyl-7,8,9,9a-tetrahydro-1H-benzo[de]isoquinoline
CID 171605768
8-tert-butyl-3,3-dideuterio-2-methyl-3a,4,5,6-tetrahydro-1H-benzo[de]isoquinoline
CID 171605858
8-tert-butyl-2-methyl-1,3,3a,4-tetrahydrobenzo[de]isoquinoline
CID 171606023
7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene
CID 171606106
7-tert-butyl-3-methyl-10-thia-3-azatricyclo[7.5.1.05,15]pentadeca-5(15),6,8-triene
CID 171605894
(3aS)-8-tert-butyl-2-methylspiro[3,3a,5,6-tetrahydro-1H-benzo[de]isoquinoline-4,1'-cyclopropane]
CID 171605723
2-methyl-1,3,3a,4,5,6-hexahydrobenzo[de]isoquinoline-4,8-diamine
CID 167309208
13,27-ditert-butyl-3,6,9,17,20,23-hexamethyl-3,6,9,17,20,23-hexazatricyclo[23.3.1.111,15]triaconta-1(28),11,13,15(30),25(29),26-hexaene-29,30-dithiolate;hydrazine;nickel
CID 6418971
(9aR)-2,7,7-trimethyl-3,8,9,9a-tetrahydro-1H-benzo[de]isoquinolin-5-amine
CID 167309276
7-methyl-3-oxa-7-azatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-11-amine
CID 167309053
(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)methanamine
CID 82128928
(3aS)-8-tert-butyl-2,3a-dimethyl-3,4,5,6-tetrahydro-1H-benzo[de]isoquinoline
CID 171606040

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
The IUPAC name of 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene (CID 171606142) is 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene.
What is the SMILES notation for 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
The canonical SMILES for 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene is CN1Cc2cc(C(C)(C)C)cc3c2C(CC3)C1.
What is the InChIKey of 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
The InChIKey is JAJVCBMVLMWNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-16(2,3)14-7-11-5-6-12-9-17(4)10-13(8-14)15(11)12/h7-8,12H,5-6,9-10H2,1-4H3.
What are the key properties of 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene?
10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene has a molecular weight of 229.37 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-6-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene is sourced from PubChem (CID 171606142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).