4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol

C13H31N3O — CID 64789571

IUPAC4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
SMILESCCCN(CCC(CO)NCC)CCN(C)C
InChIInChI=1S/C13H31N3O/c1-5-8-16(11-10-15(3)4)9-7-13(12-17)14-6-2/h13-14,17H,5-12H2,1-4H3
InChIKeySSFBEZMSQUCJBT-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.62
Rot. Bonds11

About 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol

4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol (PubChem CID 64789571) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
PubChem CID64789571
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
SMILESCCCN(CCC(CO)NCC)CCN(C)C
InChIInChI=1S/C13H31N3O/c1-5-8-16(11-10-15(3)4)9-7-13(12-17)14-6-2/h13-14,17H,5-12H2,1-4H3
InChIKeySSFBEZMSQUCJBT-UHFFFAOYSA-N
XLogP0.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol (CID 64789571) is 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol is CCCN(CCC(CO)NCC)CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol?
The InChIKey is SSFBEZMSQUCJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-5-8-16(11-10-15(3)4)9-7-13(12-17)14-6-2/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol?
4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 0.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64789571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).