tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine

C13H17N — CID 63823189

IUPACtricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
SMILESNC1CC2CCCCc3cccc1c32
InChIInChI=1S/C13H17N/c14-12-8-10-5-2-1-4-9-6-3-7-11(12)13(9)10/h3,6-7,10,12H,1-2,4-5,8,14H2
InChIKeyPAOYRVBSSVHAEI-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.90
Rot. Bonds

About tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine

tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine (PubChem CID 63823189) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine.

Molecular Properties

Compound Nametricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
PubChem CID63823189
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Nametricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine
SMILESNC1CC2CCCCc3cccc1c32
InChIInChI=1S/C13H17N/c14-12-8-10-5-2-1-4-9-6-3-7-11(12)13(9)10/h3,6-7,10,12H,1-2,4-5,8,14H2
InChIKeyPAOYRVBSSVHAEI-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
4-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 130067141
2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl)ethanol
CID 67901360
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
(1R)-8-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86328574
2-(2,3,3a,4,5,6-hexahydro-1H-phenalen-2-yl)ethanol
CID 19832183
1-[(1R,3aR)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]piperidin-4-one
CID 10849602
3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 55223849
8-N,8-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,8-diamine
CID 112708810
2,6-di(cycloheptyl)aniline
CID 156891849
(1S)-2,3-dihydro-1H-inden-1-amine
CID 7000084
cyclododecanamine;2,3-dihydro-1H-inden-1-amine
CID 157151284

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine?
The IUPAC name of tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine (CID 63823189) is tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine.
What is the SMILES notation for tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine?
The canonical SMILES for tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine is NC1CC2CCCCc3cccc1c32.
What is the InChIKey of tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine?
The InChIKey is PAOYRVBSSVHAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-12-8-10-5-2-1-4-9-6-3-7-11(12)13(9)10/h3,6-7,10,12H,1-2,4-5,8,14H2.
What are the key properties of tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine?
tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine has a molecular weight of 187.29 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-3-amine is sourced from PubChem (CID 63823189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).