6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one

C17H27N3O2 — CID 82025883

IUPAC6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCCC(N)c1ccc2c(c1)N(CCN(C)C)C(=O)C(C)(C)O2
InChIInChI=1S/C17H27N3O2/c1-6-13(18)12-7-8-15-14(11-12)20(10-9-19(4)5)16(21)17(2,3)22-15/h7-8,11,13H,6,9-10,18H2,1-5H3
InChIKeyLNNZUXWDNIEOGA-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.16
Rot. Bonds5

About 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one

6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one (PubChem CID 82025883) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one
PubChem CID82025883
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one
SMILESCCC(N)c1ccc2c(c1)N(CCN(C)C)C(=O)C(C)(C)O2
InChIInChI=1S/C17H27N3O2/c1-6-13(18)12-7-8-15-14(11-12)20(10-9-19(4)5)16(21)17(2,3)22-15/h7-8,11,13H,6,9-10,18H2,1-5H3
InChIKeyLNNZUXWDNIEOGA-UHFFFAOYSA-N
XLogP2.16
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one (CID 82025883) is 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one is CCC(N)c1ccc2c(c1)N(CCN(C)C)C(=O)C(C)(C)O2.
What is the InChIKey of 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is LNNZUXWDNIEOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-6-13(18)12-7-8-15-14(11-12)20(10-9-19(4)5)16(21)17(2,3)22-15/h7-8,11,13H,6,9-10,18H2,1-5H3.
What are the key properties of 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one?
6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 305.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropyl)-4-[2-(dimethylamino)ethyl]-2,2-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82025883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).