8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine

C18H15N3 — CID 10754733

IUPAC8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine
SMILESNC1(Cc2ccccc2)c2cccnc2-c2ncccc21
InChIInChI=1S/C18H15N3/c19-18(12-13-6-2-1-3-7-13)14-8-4-10-20-16(14)17-15(18)9-5-11-21-17/h1-11H,12,19H2
InChIKeyQAZORZQUXVTVKG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.90
Rot. Bonds2

About 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine

8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine (PubChem CID 10754733) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine.

Molecular Properties

Compound Name8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine
PubChem CID10754733
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine
SMILESNC1(Cc2ccccc2)c2cccnc2-c2ncccc21
InChIInChI=1S/C18H15N3/c19-18(12-13-6-2-1-3-7-13)14-8-4-10-20-16(14)17-15(18)9-5-11-21-17/h1-11H,12,19H2
InChIKeyQAZORZQUXVTVKG-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-prop-2-ynyl-8-(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 54497503
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
phenyl 3-[8-(3-oxo-3-phenoxypropyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]propanoate
CID 167025995
cobalt(2+);6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione;methanamine
CID 59027192
(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol
CID 102167961
3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
CID 102306107
4-[8-(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]butanenitrile
CID 54111849
hexakis(6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione);bis(nickel(2+));tetrachloride;tetracosahydrate
CID 139204325
(3aR,11bS)-3a,11b-dihydroxy-1,3-dihydroimidazo[4,5-f][1,10]phenanthrolin-2-one
CID 139074955
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
5-[(2-fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)indeno[1,2-b]pyridine
CID 10546928

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine?
The IUPAC name of 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine (CID 10754733) is 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine.
What is the SMILES notation for 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine?
The canonical SMILES for 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine is NC1(Cc2ccccc2)c2cccnc2-c2ncccc21.
What is the InChIKey of 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine?
The InChIKey is QAZORZQUXVTVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-18(12-13-6-2-1-3-7-13)14-8-4-10-20-16(14)17-15(18)9-5-11-21-17/h1-11H,12,19H2.
What are the key properties of 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine?
8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine has a molecular weight of 273.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-amine is sourced from PubChem (CID 10754733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).