3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol

C13H30N2O2 — CID 104840396

IUPAC3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CCOC)C(CC)CC
InChIInChI=1S/C13H30N2O2/c1-5-11(6-2)15(8-9-17-4)13(10-16)12(14)7-3/h11-13,16H,5-10,14H2,1-4H3
InChIKeyLCGHEQCSBIAUCE-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.22
Rot. Bonds10

About 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol

3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol (PubChem CID 104840396) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol
PubChem CID104840396
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol
SMILESCCC(N)C(CO)N(CCOC)C(CC)CC
InChIInChI=1S/C13H30N2O2/c1-5-11(6-2)15(8-9-17-4)13(10-16)12(14)7-3/h11-13,16H,5-10,14H2,1-4H3
InChIKeyLCGHEQCSBIAUCE-UHFFFAOYSA-N
XLogP1.22
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]-methyl-amino]ethylamino]butan-1-ol
CID 3000886
2-[2-[1-(Hydroxymethyl)butylamino]ethylamino]pentan-1-ol
CID 470077
(2s)-2-[2-[[(1r)-1-(Hydroxymethyl)butyl]amino]ethylamino]pentan-1-ol
CID 470078
2-[2-[1-(Methoxymethyl)propylamino]ethylamino]butan-1-ol
CID 471652
2-[2-[1-(Ethoxymethyl)propylamino]ethylamino]propan-1-ol
CID 16727456
2-[2-(3-Ethoxypropylamino)ethylamino]butan-1-ol
CID 504179
2-[2-[1-(Ethoxymethyl)propylamino]ethylamino]butan-1-ol
CID 471653
3-Amino-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840342
3-Amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840399
3-Amino-2-[propyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840403
3-Amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840404
3-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]pentan-1-ol
CID 104840473

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol?
The IUPAC name of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol (CID 104840396) is 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol?
The canonical SMILES for 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol is CCC(N)C(CO)N(CCOC)C(CC)CC.
What is the InChIKey of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol?
The InChIKey is LCGHEQCSBIAUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-11(6-2)15(8-9-17-4)13(10-16)12(14)7-3/h11-13,16H,5-10,14H2,1-4H3.
What are the key properties of 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol?
3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-methoxyethyl(pentan-3-yl)amino]pentan-1-ol is sourced from PubChem (CID 104840396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).