2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide

C13H29N3O — CID 102992913

IUPAC2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
SMILESCCC(C)NCC(=O)N(CC)CCCN(C)C
InChIInChI=1S/C13H29N3O/c1-6-12(3)14-11-13(17)16(7-2)10-8-9-15(4)5/h12,14H,6-11H2,1-5H3
InChIKeyJYWISFZYOFCMBT-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.17
Rot. Bonds9

About 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide

2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide (PubChem CID 102992913) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
PubChem CID102992913
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
SMILESCCC(C)NCC(=O)N(CC)CCCN(C)C
InChIInChI=1S/C13H29N3O/c1-6-12(3)14-11-13(17)16(7-2)10-8-9-15(4)5/h12,14H,6-11H2,1-5H3
InChIKeyJYWISFZYOFCMBT-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide (CID 102992913) is 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide is CCC(C)NCC(=O)N(CC)CCCN(C)C.
What is the InChIKey of 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
The InChIKey is JYWISFZYOFCMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-12(3)14-11-13(17)16(7-2)10-8-9-15(4)5/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide?
2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide has a molecular weight of 243.39 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide is sourced from PubChem (CID 102992913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).