3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol

C13H30N2O2 — CID 64825577

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN(CCOC)C(C)CC
InChIInChI=1S/C13H30N2O2/c1-5-7-14-13(11-16)10-15(8-9-17-4)12(3)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyYMHGQBGNWICFLM-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.09
Rot. Bonds11

About 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol

3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol (PubChem CID 64825577) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
PubChem CID64825577
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)CN(CCOC)C(C)CC
InChIInChI=1S/C13H30N2O2/c1-5-7-14-13(11-16)10-15(8-9-17-4)12(3)6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyYMHGQBGNWICFLM-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol (CID 64825577) is 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol is CCCNC(CO)CN(CCOC)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol?
The InChIKey is YMHGQBGNWICFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-7-14-13(11-16)10-15(8-9-17-4)12(3)6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol?
3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 1.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64825577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).