(1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine

C13H15N — CID 130765845

IUPAC(1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine
SMILESNC1C2C=CC[C@H]1c1ccccc1C2
InChIInChI=1S/C13H15N/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-6,10,12-13H,7-8,14H2/t10?,12-,13?/m0/s1
InChIKeyATJGIYPCWKDOJS-YDGIUTOCSA-N
MW185.27 g/mol
LogP2.23
Rot. Bonds

About (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine

(1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine (PubChem CID 130765845) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine.

Molecular Properties

Compound Name(1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine
PubChem CID130765845
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name(1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine
SMILESNC1C2C=CC[C@H]1c1ccccc1C2
InChIInChI=1S/C13H15N/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-6,10,12-13H,7-8,14H2/t10?,12-,13?/m0/s1
InChIKeyATJGIYPCWKDOJS-YDGIUTOCSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 91378246
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1S)-1-bromo-2,3-dihydro-1H-inden-2-amine
CID 142687946
1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
2-chloro-2,3-dihydro-1H-inden-1-amine
CID 2794190
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-amine
CID 131850845
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370

Frequently Asked Questions

What is the IUPAC name of (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine?
The IUPAC name of (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine (CID 130765845) is (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine.
What is the SMILES notation for (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine?
The canonical SMILES for (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine is NC1C2C=CC[C@H]1c1ccccc1C2.
What is the InChIKey of (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine?
The InChIKey is ATJGIYPCWKDOJS-YDGIUTOCSA-N. The full InChI is InChI=1S/C13H15N/c14-13-10-5-3-7-12(13)11-6-2-1-4-9(11)8-10/h1-6,10,12-13H,7-8,14H2/t10?,12-,13?/m0/s1.
What are the key properties of (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine?
(1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine has a molecular weight of 185.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-tricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-13-amine is sourced from PubChem (CID 130765845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).