(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine

C13H17N — CID 130765038

IUPAC(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine
SMILESNC1c2ccccc2[C@@H]2CCC[C@H]1C2
InChIInChI=1S/C13H17N/c14-13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13/h1-2,6-7,9-10,13H,3-5,8,14H2/t9-,10+,13?/m1/s1
InChIKeyJWPBZCOXWNSKNW-GDVCOKDOSA-N
MW187.29 g/mol
LogP2.97
Rot. Bonds

About (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine

(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine (PubChem CID 130765038) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine.

Molecular Properties

Compound Name(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine
PubChem CID130765038
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine
SMILESNC1c2ccccc2[C@@H]2CCC[C@H]1C2
InChIInChI=1S/C13H17N/c14-13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13/h1-2,6-7,9-10,13H,3-5,8,14H2/t9-,10+,13?/m1/s1
InChIKeyJWPBZCOXWNSKNW-GDVCOKDOSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(2-fluorophenyl)cyclohexan-1-amine
CID 64503186
2-(2-cyclobutylphenyl)cyclobutan-1-amine
CID 114607226
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 114606072
2-(3-methylcyclohexyl)aniline
CID 15340119
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
2,6-di(cyclobutyl)aniline
CID 172550384
1-chloro-2-(3-chlorocyclohexyl)benzene
CID 64513324
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
CID 3059576
3-(2-methylphenyl)cyclohexan-1-ol
CID 64513685
2-(3-sulfanylcyclohexyl)benzamide
CID 166057237
cis-(1R,3S)-3-(2-chlorophenyl)cyclopentan-1-amine
CID 94680134

Frequently Asked Questions

What is the IUPAC name of (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine?
The IUPAC name of (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine (CID 130765038) is (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine.
What is the SMILES notation for (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine?
The canonical SMILES for (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine is NC1c2ccccc2[C@@H]2CCC[C@H]1C2.
What is the InChIKey of (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine?
The InChIKey is JWPBZCOXWNSKNW-GDVCOKDOSA-N. The full InChI is InChI=1S/C13H17N/c14-13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)13/h1-2,6-7,9-10,13H,3-5,8,14H2/t9-,10+,13?/m1/s1.
What are the key properties of (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine?
(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine has a molecular weight of 187.29 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine is sourced from PubChem (CID 130765038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).