N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene

C10H16N4O — CID 165409438

IUPACN-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene
SMILESCNC.c1cc2nn3c(c2[nH]1)COCC3
InChIInChI=1S/C8H9N3O.C2H7N/c1-2-9-8-6(1)10-11-3-4-12-5-7(8)11;1-3-2/h1-2,9H,3-5H2;3H,1-2H3
InChIKeyLBDUWASQHRHTTO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.73
Rot. Bonds

About N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene

N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene (PubChem CID 165409438) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene.

Molecular Properties

Compound NameN-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene
PubChem CID165409438
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene
SMILESCNC.c1cc2nn3c(c2[nH]1)COCC3
InChIInChI=1S/C8H9N3O.C2H7N/c1-2-9-8-6(1)10-11-3-4-12-5-7(8)11;1-3-2/h1-2,9H,3-5H2;3H,1-2H3
InChIKeyLBDUWASQHRHTTO-UHFFFAOYSA-N
XLogP0.73
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene?
The IUPAC name of N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene (CID 165409438) is N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene.
What is the SMILES notation for N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene?
The canonical SMILES for N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene is CNC.c1cc2nn3c(c2[nH]1)COCC3.
What is the InChIKey of N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene?
The InChIKey is LBDUWASQHRHTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.C2H7N/c1-2-9-8-6(1)10-11-3-4-12-5-7(8)11;1-3-2/h1-2,9H,3-5H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene?
N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene has a molecular weight of 208.26 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;11-oxa-3,7,8-triazatricyclo[6.4.0.02,6]dodeca-1,4,6-triene is sourced from PubChem (CID 165409438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).