N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane

C28H42N8O2 — CID 162388867

IUPACN,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane
SMILESCC.CN(C)CCn1c2c(c3cncnc31)CCCO2.CN(C)CCn1c2c(c3ncncc31)CCCO2
InChIInChI=1S/2C13H18N4O.C2H6/c1-16(2)5-6-17-11-8-14-9-15-12(11)10-4-3-7-18-13(10)17;1-16(2)5-6-17-12-11(8-14-9-15-12)10-4-3-7-18-13(10)17;1-2/h2*8-9H,3-7H2,1-2H3;1-2H3
InChIKeyVZCTYQXUGGPTQO-UHFFFAOYSA-N
MW522.70 g/mol
LogP3.66
Rot. Bonds6

About N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane

N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane (PubChem CID 162388867) has the molecular formula C28H42N8O2 and a molecular weight of 522.70 g/mol. Its IUPAC name is N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane
PubChem CID162388867
Molecular FormulaC28H42N8O2
Molecular Weight522.70 g/mol
Exact Mass522.34
IUPAC NameN,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane
SMILESCC.CN(C)CCn1c2c(c3cncnc31)CCCO2.CN(C)CCn1c2c(c3ncncc31)CCCO2
InChIInChI=1S/2C13H18N4O.C2H6/c1-16(2)5-6-17-11-8-14-9-15-12(11)10-4-3-7-18-13(10)17;1-16(2)5-6-17-12-11(8-14-9-15-12)10-4-3-7-18-13(10)17;1-2/h2*8-9H,3-7H2,1-2H3;1-2H3
InChIKeyVZCTYQXUGGPTQO-UHFFFAOYSA-N
XLogP3.66
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.70
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane 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

N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine
CID 162388772
2-(10,14-dioxa-3,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)-N,N-dimethylethanamine;2-(10,14-dioxa-3,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)-N,N-dimethylethanamine;2-(10,14-dioxa-4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)-N,N-dimethylethanamine;ethane
CID 162389046
N,N-dimethyl-2-(14-oxa-3,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-8-yl)ethanamine
CID 162388904
N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride
CID 117068779
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
5-ethyl-7-[2-(oxan-2-yloxy)ethyl]pyrrolo[2,3-d]pyrimidine
CID 123399905
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 124972535
11-[2-(diethylamino)ethyl]-N,N-dimethyl-7,8,9,10-tetrahydropyrido[3,2-a]carbazol-5-amine
CID 54752941
5-methyl-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine
CID 162716272
N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine
CID 54561117
5-iodo-7-[(2S)-1-[(2R)-oxan-2-yl]oxypropan-2-yl]pyrrolo[2,3-d]pyrimidine
CID 124640504

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane?
The IUPAC name of N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane (CID 162388867) is N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane.
What is the SMILES notation for N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane?
The canonical SMILES for N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane is CC.CN(C)CCn1c2c(c3cncnc31)CCCO2.CN(C)CCn1c2c(c3ncncc31)CCCO2.
What is the InChIKey of N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane?
The InChIKey is VZCTYQXUGGPTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N4O.C2H6/c1-16(2)5-6-17-11-8-14-9-15-12(11)10-4-3-7-18-13(10)17;1-16(2)5-6-17-12-11(8-14-9-15-12)10-4-3-7-18-13(10)17;1-2/h2*8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane?
N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane has a molecular weight of 522.70 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(10-oxa-3,5,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;N,N-dimethyl-2-(10-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-8-yl)ethanamine;ethane is sourced from PubChem (CID 162388867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).