N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine

C17H24N4O — CID 75390778

IUPACN,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCC(C)n1ccnc1CN1CCOc2cc(N(C)C)ccc21
InChIInChI=1S/C17H24N4O/c1-13(2)21-8-7-18-17(21)12-20-9-10-22-16-11-14(19(3)4)5-6-15(16)20/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyXJXGYCYWESTFIE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.93
Rot. Bonds4

About N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine

N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine (PubChem CID 75390778) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
PubChem CID75390778
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine
SMILESCC(C)n1ccnc1CN1CCOc2cc(N(C)C)ccc21
InChIInChI=1S/C17H24N4O/c1-13(2)21-8-7-18-17(21)12-20-9-10-22-16-11-14(19(3)4)5-6-15(16)20/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyXJXGYCYWESTFIE-UHFFFAOYSA-N
XLogP2.93
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
The IUPAC name of N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine (CID 75390778) is N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine.
What is the SMILES notation for N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
The canonical SMILES for N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine is CC(C)n1ccnc1CN1CCOc2cc(N(C)C)ccc21.
What is the InChIKey of N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
The InChIKey is XJXGYCYWESTFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)21-8-7-18-17(21)12-20-9-10-22-16-11-14(19(3)4)5-6-15(16)20/h5-8,11,13H,9-10,12H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine?
N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine has a molecular weight of 300.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-amine is sourced from PubChem (CID 75390778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).