N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine

C15H21N3O — CID 162388823

IUPACN,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine
SMILESCN(C)CCn1c2c(c3cccnc31)OCCCC2
InChIInChI=1S/C15H21N3O/c1-17(2)9-10-18-13-7-3-4-11-19-14(13)12-6-5-8-16-15(12)18/h5-6,8H,3-4,7,9-11H2,1-2H3
InChIKeyYGNZERHKQIWXQN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.31
Rot. Bonds3

About N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine

N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine (PubChem CID 162388823) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine
PubChem CID162388823
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine
SMILESCN(C)CCn1c2c(c3cccnc31)OCCCC2
InChIInChI=1S/C15H21N3O/c1-17(2)9-10-18-13-7-3-4-11-19-14(13)12-6-5-8-16-15(12)18/h5-6,8H,3-4,7,9-11H2,1-2H3
InChIKeyYGNZERHKQIWXQN-UHFFFAOYSA-N
XLogP2.31
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine (CID 162388823) is N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine is CN(C)CCn1c2c(c3cccnc31)OCCCC2.
What is the InChIKey of N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine?
The InChIKey is YGNZERHKQIWXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17(2)9-10-18-13-7-3-4-11-19-14(13)12-6-5-8-16-15(12)18/h5-6,8H,3-4,7,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine?
N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(14-oxa-6,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-8-yl)ethanamine is sourced from PubChem (CID 162388823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).