N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine

C14H20N4O — CID 162388715

IUPACN,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine
SMILESCN(C)CCn1c2c(c3nccnc31)OCCCC2
InChIInChI=1S/C14H20N4O/c1-17(2)8-9-18-11-5-3-4-10-19-13(11)12-14(18)16-7-6-15-12/h6-7H,3-5,8-10H2,1-2H3
InChIKeyFDUXDMVRYXKBGH-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.71
Rot. Bonds3

About N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine

N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine (PubChem CID 162388715) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine
PubChem CID162388715
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine
SMILESCN(C)CCn1c2c(c3nccnc31)OCCCC2
InChIInChI=1S/C14H20N4O/c1-17(2)8-9-18-11-5-3-4-10-19-13(11)12-14(18)16-7-6-15-12/h6-7H,3-5,8-10H2,1-2H3
InChIKeyFDUXDMVRYXKBGH-UHFFFAOYSA-N
XLogP1.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 24804536
CID 24804536
CID 11574762
CID 11574762
CID 69850639
CID 69850639
CID 70067147
CID 70067147
CID 71081058
CID 71081058
CID 71081069
CID 71081069
CID 71081150
CID 71081150
CID 141110946
CID 141110946
CID 156453557
CID 156453557
CID 156453654
CID 156453654
CID 162388823
CID 162388823
CID 162388882
CID 162388882

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine (CID 162388715) is N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine is CN(C)CCn1c2c(c3nccnc31)OCCCC2.
What is the InChIKey of N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine?
The InChIKey is FDUXDMVRYXKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)8-9-18-11-5-3-4-10-19-13(11)12-14(18)16-7-6-15-12/h6-7H,3-5,8-10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine?
N,N-dimethyl-2-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.71, 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-(14-oxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine is sourced from PubChem (CID 162388715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).