N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine

C13H18N4O — CID 162388882

IUPACN,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine
SMILESCN(C)CCn1c2c(c3cncnc31)OCCC2
InChIInChI=1S/C13H18N4O/c1-16(2)5-6-17-11-4-3-7-18-12(11)10-8-14-9-15-13(10)17/h8-9H,3-7H2,1-2H3
InChIKeyXPFJGZKECWKCMF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.32
Rot. Bonds3

About N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine

N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine (PubChem CID 162388882) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine
PubChem CID162388882
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine
SMILESCN(C)CCn1c2c(c3cncnc31)OCCC2
InChIInChI=1S/C13H18N4O/c1-16(2)5-6-17-11-4-3-7-18-12(11)10-8-14-9-15-13(10)17/h8-9H,3-7H2,1-2H3
InChIKeyXPFJGZKECWKCMF-UHFFFAOYSA-N
XLogP1.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine (CID 162388882) is N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine is CN(C)CCn1c2c(c3cncnc31)OCCC2.
What is the InChIKey of N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine?
The InChIKey is XPFJGZKECWKCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16(2)5-6-17-11-4-3-7-18-12(11)10-8-14-9-15-13(10)17/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine?
N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-oxa-8,10,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-8-yl)ethanamine is sourced from PubChem (CID 162388882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).