11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine

C13H19N — CID 166930842

IUPAC11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine
SMILESCC1(C)C2CCC1(N)C1=C2C=CCC1
InChIInChI=1S/C13H19N/c1-12(2)10-7-8-13(12,14)11-6-4-3-5-9(10)11/h3,5,10H,4,6-8,14H2,1-2H3
InChIKeyXJKYALUGXLCZMY-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.78
Rot. Bonds

About 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine

11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine (PubChem CID 166930842) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine.

Molecular Properties

Compound Name11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine
PubChem CID166930842
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine
SMILESCC1(C)C2CCC1(N)C1=C2C=CCC1
InChIInChI=1S/C13H19N/c1-12(2)10-7-8-13(12,14)11-6-4-3-5-9(10)11/h3,5,10H,4,6-8,14H2,1-2H3
InChIKeyXJKYALUGXLCZMY-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 139483013
(1S)-1,2,3,4,5,6-hexahydronaphthalen-1-amine
CID 143343680
(1S,8S)-5-(2,6-difluorophenyl)-11,11-dimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-amine
CID 122683453
1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
CID 142636500
4,9-dihydro-3H-fluoren-9-ylmethanamine
CID 145081785
[(1R)-2,2,3,3-tetramethylcyclopentyl]methanamine
CID 58477002
1-methyl-1,2,5,6-tetrahydronaphthalene
CID 90700254
3-methyl-2,3,6,7-tetrahydro-1-benzofuran
CID 89060479
4,4a-dimethyl-1,2,3,4,5,6,9,9a-octahydrocarbazole
CID 71234785
3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine
CID 139470360
1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
1-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 130368204

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine?
The IUPAC name of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine (CID 166930842) is 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine.
What is the SMILES notation for 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine?
The canonical SMILES for 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine is CC1(C)C2CCC1(N)C1=C2C=CCC1.
What is the InChIKey of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine?
The InChIKey is XJKYALUGXLCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-12(2)10-7-8-13(12,14)11-6-4-3-5-9(10)11/h3,5,10H,4,6-8,14H2,1-2H3.
What are the key properties of 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine?
11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine has a molecular weight of 189.30 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyltricyclo[6.2.1.02,7]undeca-2(7),5-dien-1-amine is sourced from PubChem (CID 166930842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).