4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide

C11H20N2O — CID 170208828

IUPAC4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide
SMILESCCCN(CC)C(=O)C#CCN(C)C
InChIInChI=1S/C11H20N2O/c1-5-9-13(6-2)11(14)8-7-10-12(3)4/h5-6,9-10H2,1-4H3
InChIKeyYJXLJKKRTMSMHB-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.81
Rot. Bonds4

About 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide

4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide (PubChem CID 170208828) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide
PubChem CID170208828
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide
SMILESCCCN(CC)C(=O)C#CCN(C)C
InChIInChI=1S/C11H20N2O/c1-5-9-13(6-2)11(14)8-7-10-12(3)4/h5-6,9-10H2,1-4H3
InChIKeyYJXLJKKRTMSMHB-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide?
The IUPAC name of 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide (CID 170208828) is 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide.
What is the SMILES notation for 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide?
The canonical SMILES for 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide is CCCN(CC)C(=O)C#CCN(C)C.
What is the InChIKey of 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide?
The InChIKey is YJXLJKKRTMSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9-13(6-2)11(14)8-7-10-12(3)4/h5-6,9-10H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide?
4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide has a molecular weight of 196.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-ethyl-N-propylbut-2-ynamide is sourced from PubChem (CID 170208828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).