(1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

C13H17N — CID 146164831

IUPAC(1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESCc1cncc2c1CC1C[C@H]2C1(C)C
InChIInChI=1S/C13H17N/c1-8-6-14-7-11-10(8)4-9-5-12(11)13(9,2)3/h6-7,9,12H,4-5H2,1-3H3/t9?,12-/m1/s1
InChIKeyIWCWBVBDTPCLGY-FFFFSGIJSA-N
MW187.29 g/mol
LogP3.08
Rot. Bonds

About (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene

(1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (PubChem CID 146164831) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
PubChem CID146164831
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
SMILESCc1cncc2c1CC1C[C@H]2C1(C)C
InChIInChI=1S/C13H17N/c1-8-6-14-7-11-10(8)4-9-5-12(11)13(9,2)3/h6-7,9,12H,4-5H2,1-3H3/t9?,12-/m1/s1
InChIKeyIWCWBVBDTPCLGY-FFFFSGIJSA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-6-ethenyl-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 146163822
(1S)-10,10-dimethyl-6-(2-phenylmethoxyethyl)-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 146164940
(1R,13R)-6,7,14,14-tetramethyl-3,10-diazatetracyclo[11.1.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene
CID 102243655
10,10-dimethyl-5-(4-methylphenyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 162787690
10,10-dimethyl-6-phenyl-3,5-diazatricyclo[7.1.1.02,7]undeca-2,4,6-triene
CID 141414594
(1R,9R)-N-[3-[[(1R,9R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]imino]-5,6-dimethylisoindol-1-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-amine
CID 102405841
1-N,2-N-bis[[(1R,9R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]methyl]-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 162405664
(1R,8S,9R)-5-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-8-ethyl-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101086218
(1R,9R)-5-[6-[(Z)-2-[6-[(1R,9R)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl]-2-pyridinyl]-1,2-diphenylethenyl]-2-pyridinyl]-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 23246679
(1R,9R)-10,10-dimethyl-5-(6-pyridin-2-yl-2-pyridinyl)-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 101470476
bis[6-(10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-5-yl)-2-pyridinyl]methanol
CID 135022757
(1R,9R)-5-(furan-2-yl)-10,10-dimethyl-6-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene
CID 10105670

Frequently Asked Questions

What is the IUPAC name of (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The IUPAC name of (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene (CID 146164831) is (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene.
What is the SMILES notation for (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The canonical SMILES for (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is Cc1cncc2c1CC1C[C@H]2C1(C)C.
What is the InChIKey of (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
The InChIKey is IWCWBVBDTPCLGY-FFFFSGIJSA-N. The full InChI is InChI=1S/C13H17N/c1-8-6-14-7-11-10(8)4-9-5-12(11)13(9,2)3/h6-7,9,12H,4-5H2,1-3H3/t9?,12-/m1/s1.
What are the key properties of (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene?
(1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene has a molecular weight of 187.29 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,10,10-trimethyl-4-azatricyclo[7.1.1.02,7]undeca-2(7),3,5-triene is sourced from PubChem (CID 146164831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).