6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one

C15H22N2O2 — CID 82339879

IUPAC6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)C(C)Oc2ccc(CCCN)cc21
InChIInChI=1S/C15H22N2O2/c1-3-9-17-13-10-12(5-4-8-16)6-7-14(13)19-11(2)15(17)18/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeySZBBSFPMFWEENA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.10
Rot. Bonds5

About 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one

6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one (PubChem CID 82339879) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
PubChem CID82339879
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)C(C)Oc2ccc(CCCN)cc21
InChIInChI=1S/C15H22N2O2/c1-3-9-17-13-10-12(5-4-8-16)6-7-14(13)19-11(2)15(17)18/h6-7,10-11H,3-5,8-9,16H2,1-2H3
InChIKeySZBBSFPMFWEENA-UHFFFAOYSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82063129
6-(4-aminobutyl)-4-ethyl-2-methyl-1,4-benzoxazin-3-one
CID 82339705
6-(2-aminoethyl)-4-(3-hydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
CID 115217063
6-(4-aminobutyl)-2-methyl-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 82339964
6-amino-4-(4-aminobutyl)-2-methyl-1,4-benzoxazin-3-one
CID 115201020
4-(2-aminoethyl)-6-tert-butyl-2-methyl-1,4-benzoxazin-3-one
CID 82142321
4-butyl-6-hydroxy-2-methyl-1,4-benzoxazin-3-one
CID 82063447
6-butanoyl-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82019477
6-(1-amino-3-methylbutyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one
CID 82028506
6-(aminomethyl)-2-methyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 82338912
4-(aminomethyl)-2-methyl-6-(methylaminomethyl)-1,4-benzoxazin-3-one
CID 115225913
4-[3-(dimethylamino)propyl]-6-(hydroxymethyl)-2-methyl-1,4-benzoxazin-3-one
CID 82338297

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one (CID 82339879) is 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one is CCCN1C(=O)C(C)Oc2ccc(CCCN)cc21.
What is the InChIKey of 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one?
The InChIKey is SZBBSFPMFWEENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-9-17-13-10-12(5-4-8-16)6-7-14(13)19-11(2)15(17)18/h6-7,10-11H,3-5,8-9,16H2,1-2H3.
What are the key properties of 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one?
6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-2-methyl-4-propyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82339879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).