2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol

C11H26N2O3 — CID 107864954

IUPAC2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(CCCN)COC
InChIInChI=1S/C11H26N2O3/c1-3-11(8-14,9-15)13-10(7-16-2)5-4-6-12/h10,13-15H,3-9,12H2,1-2H3
InChIKeyPULOXCUCEVHEGU-UHFFFAOYSA-N
MW234.34 g/mol
LogP-0.54
Rot. Bonds10

About 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol

2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107864954) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107864954
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Name2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)NC(CCCN)COC
InChIInChI=1S/C11H26N2O3/c1-3-11(8-14,9-15)13-10(7-16-2)5-4-6-12/h10,13-15H,3-9,12H2,1-2H3
InChIKeyPULOXCUCEVHEGU-UHFFFAOYSA-N
XLogP-0.54
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-2-(1-methoxyhexan-2-ylamino)butan-1-ol
CID 115920298
2-ethyl-2-(1-methoxypropan-2-ylamino)propane-1,3-diol
CID 103935629
5-methoxy-4-N-(2-methylbut-3-yn-2-yl)pentane-1,4-diamine
CID 103390012
3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783
3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106349081
3-[(5-amino-1-methoxypentan-2-yl)amino]propane-1,2-diol
CID 103390268
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
CID 103388839
5-amino-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylpentanamide
CID 107865586
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol (CID 107864954) is 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)NC(CCCN)COC.
What is the InChIKey of 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is PULOXCUCEVHEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3/c1-3-11(8-14,9-15)13-10(7-16-2)5-4-6-12/h10,13-15H,3-9,12H2,1-2H3.
What are the key properties of 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol?
2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 234.34 g/mol, XLogP of -0.54, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1-methoxypentan-2-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).