N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine

C18H26N2 — CID 83009149

IUPACN-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine
SMILESc1ccc2c(c1)CC1CCC(C2)C1NN1CCCCC1
InChIInChI=1S/C18H26N2/c1-4-10-20(11-5-1)19-18-16-8-9-17(18)13-15-7-3-2-6-14(15)12-16/h2-3,6-7,16-19H,1,4-5,8-13H2
InChIKeyYAZQIPSZUGWBLU-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.17
Rot. Bonds2

About N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine

N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine (PubChem CID 83009149) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine
PubChem CID83009149
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine
SMILESc1ccc2c(c1)CC1CCC(C2)C1NN1CCCCC1
InChIInChI=1S/C18H26N2/c1-4-10-20(11-5-1)19-18-16-8-9-17(18)13-15-7-3-2-6-14(15)12-16/h2-3,6-7,16-19H,1,4-5,8-13H2
InChIKeyYAZQIPSZUGWBLU-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxy-2-methylpropyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 104759583
5-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylcarbamoyl)piperidine-3-carboxylic acid
CID 122123842
2-ethyl-2-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienylamino)propane-1,3-diol
CID 107865055
N-(4,4,4-trifluorobutyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 115516225
3-(piperidin-1-ylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313466
5-methyl-N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)-1,3,4-thiadiazol-2-amine
CID 107648445
N-methyl-1-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)pyrrolidin-3-amine
CID 115299892
4-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-amine
CID 7446094
(2R,3R)-3-(4-piperidin-1-ylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 122181075
N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83022174
N-(butan-2-ylsulfamoyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-amine
CID 58742077
(2S)-N-piperidin-1-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 83020881

Frequently Asked Questions

What is the IUPAC name of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine?
The IUPAC name of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine (CID 83009149) is N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine.
What is the SMILES notation for N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine?
The canonical SMILES for N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine is c1ccc2c(c1)CC1CCC(C2)C1NN1CCCCC1.
What is the InChIKey of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine?
The InChIKey is YAZQIPSZUGWBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-10-20(11-5-1)19-18-16-8-9-17(18)13-15-7-3-2-6-14(15)12-16/h2-3,6-7,16-19H,1,4-5,8-13H2.
What are the key properties of N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine?
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine has a molecular weight of 270.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)piperidin-1-amine is sourced from PubChem (CID 83009149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).