1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one

C12H24N2O3 — CID 87074673

IUPAC1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one
SMILESCCCC(OC(CCC)C(=O)CN)C(=O)CN
InChIInChI=1S/C12H24N2O3/c1-3-5-11(9(15)7-13)17-12(6-4-2)10(16)8-14/h11-12H,3-8,13-14H2,1-2H3
InChIKeyYAPXRQQNVOHAHC-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.40
Rot. Bonds10

About 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one

1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one (PubChem CID 87074673) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one.

Molecular Properties

Compound Name1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one
PubChem CID87074673
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one
SMILESCCCC(OC(CCC)C(=O)CN)C(=O)CN
InChIInChI=1S/C12H24N2O3/c1-3-5-11(9(15)7-13)17-12(6-4-2)10(16)8-14/h11-12H,3-8,13-14H2,1-2H3
InChIKeyYAPXRQQNVOHAHC-UHFFFAOYSA-N
XLogP0.40
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-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 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one?
The IUPAC name of 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one (CID 87074673) is 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one.
What is the SMILES notation for 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one?
The canonical SMILES for 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one is CCCC(OC(CCC)C(=O)CN)C(=O)CN.
What is the InChIKey of 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one?
The InChIKey is YAPXRQQNVOHAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-11(9(15)7-13)17-12(6-4-2)10(16)8-14/h11-12H,3-8,13-14H2,1-2H3.
What are the key properties of 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one?
1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one has a molecular weight of 244.33 g/mol, XLogP of 0.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-amino-2-oxohexan-3-yl)oxyhexan-2-one is sourced from PubChem (CID 87074673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).