N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine

C10H16N2O — CID 134485505

IUPACN,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine
SMILESCNC1CC(C)=CC2=C1NCCO2
InChIInChI=1S/C10H16N2O/c1-7-5-8(11-2)10-9(6-7)13-4-3-12-10/h6,8,11-12H,3-5H2,1-2H3
InChIKeyPLBPDVMPMBXVHY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.76
Rot. Bonds1

About N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine

N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine (PubChem CID 134485505) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine.

Molecular Properties

Compound NameN,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine
PubChem CID134485505
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine
SMILESCNC1CC(C)=CC2=C1NCCO2
InChIInChI=1S/C10H16N2O/c1-7-5-8(11-2)10-9(6-7)13-4-3-12-10/h6,8,11-12H,3-5H2,1-2H3
InChIKeyPLBPDVMPMBXVHY-UHFFFAOYSA-N
XLogP0.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine?
The IUPAC name of N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine (CID 134485505) is N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine.
What is the SMILES notation for N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine?
The canonical SMILES for N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine is CNC1CC(C)=CC2=C1NCCO2.
What is the InChIKey of N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine?
The InChIKey is PLBPDVMPMBXVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-5-8(11-2)10-9(6-7)13-4-3-12-10/h6,8,11-12H,3-5H2,1-2H3.
What are the key properties of N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine?
N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine has a molecular weight of 180.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-3,4,5,6-tetrahydro-2H-1,4-benzoxazin-5-amine is sourced from PubChem (CID 134485505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).