3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol

C14H32N2O — CID 64899898

IUPAC3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(CC)CC(CC)CC
InChIInChI=1S/C14H32N2O/c1-5-13(6-2)11-16(8-4)12-14(9-10-17)15-7-3/h13-15,17H,5-12H2,1-4H3
InChIKeyMNAHMINBIVWHAG-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.11
Rot. Bonds11

About 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol

3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol (PubChem CID 64899898) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol
PubChem CID64899898
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol
SMILESCCNC(CCO)CN(CC)CC(CC)CC
InChIInChI=1S/C14H32N2O/c1-5-13(6-2)11-16(8-4)12-14(9-10-17)15-7-3/h13-15,17H,5-12H2,1-4H3
InChIKeyMNAHMINBIVWHAG-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol (CID 64899898) is 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol is CCNC(CCO)CN(CC)CC(CC)CC.
What is the InChIKey of 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol?
The InChIKey is MNAHMINBIVWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-5-13(6-2)11-16(8-4)12-14(9-10-17)15-7-3/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol?
3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol is sourced from PubChem (CID 64899898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).