(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine

C11H14N2 — CID 5275734

IUPAC(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine
SMILESN[C@@H]1C2CC(c3ccccc32)[C@H]1N
InChIInChI=1S/C11H14N2/c12-10-8-5-9(11(10)13)7-4-2-1-3-6(7)8/h1-4,8-11H,5,12-13H2/t8?,9?,10-,11-/m1/s1
InChIKeyZQXAXLSUGWHGTJ-JPPWEJMLSA-N
MW174.25 g/mol
LogP0.93
Rot. Bonds

About (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine

(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine (PubChem CID 5275734) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine.

Molecular Properties

Compound Name(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine
PubChem CID5275734
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine
SMILESN[C@@H]1C2CC(c3ccccc32)[C@H]1N
InChIInChI=1S/C11H14N2/c12-10-8-5-9(11(10)13)7-4-2-1-3-6(7)8/h1-4,8-11H,5,12-13H2/t8?,9?,10-,11-/m1/s1
InChIKeyZQXAXLSUGWHGTJ-JPPWEJMLSA-N
XLogP0.93
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,8S,9S,11R)-10-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
CID 13467286
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
bicyclo[4.1.0]hepta-1,3,5-trien-7-amine
CID 69401659
cis-(1S,2S)-2-(2-bromophenyl)cyclopropan-1-amine
CID 93299622
cis-(1R,2R)-2-(2-chlorophenyl)cyclopropan-1-amine
CID 39236190
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
(1S,2S,9R,10R)-11,12-diiodotetracyclo[8.2.1.02,9.03,8]trideca-3,5,7,11-tetraene
CID 11407490
(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
CID 12013036
heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-3,5,7,9,11,13,18,20,22,24,26,28-dodecaene
CID 20588402
11-ethylidenetetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 123702509

Frequently Asked Questions

What is the IUPAC name of (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine?
The IUPAC name of (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine (CID 5275734) is (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine.
What is the SMILES notation for (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine?
The canonical SMILES for (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine is N[C@@H]1C2CC(c3ccccc32)[C@H]1N.
What is the InChIKey of (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine?
The InChIKey is ZQXAXLSUGWHGTJ-JPPWEJMLSA-N. The full InChI is InChI=1S/C11H14N2/c12-10-8-5-9(11(10)13)7-4-2-1-3-6(7)8/h1-4,8-11H,5,12-13H2/t8?,9?,10-,11-/m1/s1.
What are the key properties of (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine?
(9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine has a molecular weight of 174.25 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-diamine is sourced from PubChem (CID 5275734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).