7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine

C12H18N2O — CID 142949804

IUPAC7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine
SMILESCN1CCCCCOc2cc(N)ccc21
InChIInChI=1S/C12H18N2O/c1-14-7-3-2-4-8-15-12-9-10(13)5-6-11(12)14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyVGSRSCRWKYRANX-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.27
Rot. Bonds

About 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine

7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine (PubChem CID 142949804) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine.

Molecular Properties

Compound Name7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine
PubChem CID142949804
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine
SMILESCN1CCCCCOc2cc(N)ccc21
InChIInChI=1S/C12H18N2O/c1-14-7-3-2-4-8-15-12-9-10(13)5-6-11(12)14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyVGSRSCRWKYRANX-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine?
The IUPAC name of 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine (CID 142949804) is 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine.
What is the SMILES notation for 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine?
The canonical SMILES for 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine is CN1CCCCCOc2cc(N)ccc21.
What is the InChIKey of 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine?
The InChIKey is VGSRSCRWKYRANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-3-2-4-8-15-12-9-10(13)5-6-11(12)14/h5-6,9H,2-4,7-8,13H2,1H3.
What are the key properties of 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine?
7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine has a molecular weight of 206.29 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine is sourced from PubChem (CID 142949804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).