2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol

C12H28N2O — CID 79469956

IUPAC2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol
SMILESCCNC(CO)CN(CC)CC(C)CC
InChIInChI=1S/C12H28N2O/c1-5-11(4)8-14(7-3)9-12(10-15)13-6-2/h11-13,15H,5-10H2,1-4H3
InChIKeyQVDRLBITRRATGI-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.32
Rot. Bonds9

About 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol

2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol (PubChem CID 79469956) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol
PubChem CID79469956
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol
SMILESCCNC(CO)CN(CC)CC(C)CC
InChIInChI=1S/C12H28N2O/c1-5-11(4)8-14(7-3)9-12(10-15)13-6-2/h11-13,15H,5-10H2,1-4H3
InChIKeyQVDRLBITRRATGI-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol?
The IUPAC name of 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol (CID 79469956) is 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol is CCNC(CO)CN(CC)CC(C)CC.
What is the InChIKey of 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol?
The InChIKey is QVDRLBITRRATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-11(4)8-14(7-3)9-12(10-15)13-6-2/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol?
2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[ethyl(2-methylbutyl)amino]propan-1-ol is sourced from PubChem (CID 79469956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).