N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine

C12H16N2O — CID 143344482

IUPACN-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine
SMILESC=C1COC2=C(C=CC(CNC)C=C2)N1
InChIInChI=1S/C12H16N2O/c1-9-8-15-12-6-4-10(7-13-2)3-5-11(12)14-9/h3-6,10,13-14H,1,7-8H2,2H3
InChIKeyWAZSGEDTMINMEO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.29
Rot. Bonds2

About N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine

N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine (PubChem CID 143344482) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine
PubChem CID143344482
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine
SMILESC=C1COC2=C(C=CC(CNC)C=C2)N1
InChIInChI=1S/C12H16N2O/c1-9-8-15-12-6-4-10(7-13-2)3-5-11(12)14-9/h3-6,10,13-14H,1,7-8H2,2H3
InChIKeyWAZSGEDTMINMEO-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine?
The IUPAC name of N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine (CID 143344482) is N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine is C=C1COC2=C(C=CC(CNC)C=C2)N1.
What is the InChIKey of N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine?
The InChIKey is WAZSGEDTMINMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-8-15-12-6-4-10(7-13-2)3-5-11(12)14-9/h3-6,10,13-14H,1,7-8H2,2H3.
What are the key properties of N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine?
N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine is sourced from PubChem (CID 143344482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).