N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine

C17H21N3O — CID 143696230

IUPACN-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine
SMILESCNCCCC1Cc2ccccc2N(c2cccnc2)O1
InChIInChI=1S/C17H21N3O/c1-18-10-5-8-16-12-14-6-2-3-9-17(14)20(21-16)15-7-4-11-19-13-15/h2-4,6-7,9,11,13,16,18H,5,8,10,12H2,1H3
InChIKeyFHQZDKIXWOZHFK-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.08
Rot. Bonds5

About N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine

N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine (PubChem CID 143696230) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine
PubChem CID143696230
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine
SMILESCNCCCC1Cc2ccccc2N(c2cccnc2)O1
InChIInChI=1S/C17H21N3O/c1-18-10-5-8-16-12-14-6-2-3-9-17(14)20(21-16)15-7-4-11-19-13-15/h2-4,6-7,9,11,13,16,18H,5,8,10,12H2,1H3
InChIKeyFHQZDKIXWOZHFK-UHFFFAOYSA-N
XLogP3.08
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine (CID 143696230) is N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine is CNCCCC1Cc2ccccc2N(c2cccnc2)O1.
What is the InChIKey of N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine?
The InChIKey is FHQZDKIXWOZHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-18-10-5-8-16-12-14-6-2-3-9-17(14)20(21-16)15-7-4-11-19-13-15/h2-4,6-7,9,11,13,16,18H,5,8,10,12H2,1H3.
What are the key properties of N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine?
N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-pyridin-3-yl-3,4-dihydro-2,1-benzoxazin-3-yl)propan-1-amine is sourced from PubChem (CID 143696230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).