4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol

C17H39N3O — CID 102998403

IUPAC4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3O/c1-6-12-18-17(5,16-21)11-15-20(9-4)14-10-13-19(7-2)8-3/h18,21H,6-16H2,1-5H3
InChIKeyGCZIGTUWIRSVJJ-UHFFFAOYSA-N
MW301.52 g/mol
LogP2.18
Rot. Bonds14

About 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol

4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol (PubChem CID 102998403) has the molecular formula C17H39N3O and a molecular weight of 301.52 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol
PubChem CID102998403
Molecular FormulaC17H39N3O
Molecular Weight301.52 g/mol
Exact Mass301.31
IUPAC Name4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN(CC)CCCN(CC)CC
InChIInChI=1S/C17H39N3O/c1-6-12-18-17(5,16-21)11-15-20(9-4)14-10-13-19(7-2)8-3/h18,21H,6-16H2,1-5H3
InChIKeyGCZIGTUWIRSVJJ-UHFFFAOYSA-N
XLogP2.18
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol (CID 102998403) is 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN(CC)CCCN(CC)CC.
What is the InChIKey of 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol?
The InChIKey is GCZIGTUWIRSVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3O/c1-6-12-18-17(5,16-21)11-15-20(9-4)14-10-13-19(7-2)8-3/h18,21H,6-16H2,1-5H3.
What are the key properties of 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol?
4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol has a molecular weight of 301.52 g/mol, XLogP of 2.18, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl-ethylamino]-2-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 102998403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).