N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine

C15H20N4O2 — CID 75411206

IUPACN-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine
SMILESc1cnc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1
InChIInChI=1S/C15H20N4O2/c1-2-13-15(16-5-1)19-12(9-21-10-14(19)18-13)8-17-11-3-6-20-7-4-11/h1-2,5,11-12,17H,3-4,6-10H2/t12-/m0/s1
InChIKeyUDXWROOOKMRSGT-LBPRGKRZSA-N
MW288.35 g/mol
LogP1.27
Rot. Bonds3

About N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine

N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine (PubChem CID 75411206) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine
PubChem CID75411206
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine
SMILESc1cnc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1
InChIInChI=1S/C15H20N4O2/c1-2-13-15(16-5-1)19-12(9-21-10-14(19)18-13)8-17-11-3-6-20-7-4-11/h1-2,5,11-12,17H,3-4,6-10H2/t12-/m0/s1
InChIKeyUDXWROOOKMRSGT-LBPRGKRZSA-N
XLogP1.27
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine (CID 75411206) is N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine is c1cnc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1.
What is the InChIKey of N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine?
The InChIKey is UDXWROOOKMRSGT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-13-15(16-5-1)19-12(9-21-10-14(19)18-13)8-17-11-3-6-20-7-4-11/h1-2,5,11-12,17H,3-4,6-10H2/t12-/m0/s1.
What are the key properties of N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine?
N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine has a molecular weight of 288.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(13S)-11-oxa-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-13-yl]methyl]oxan-4-amine is sourced from PubChem (CID 75411206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).