N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide

C11H20N2O — CID 89173401

IUPACN-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide
SMILESC#CCCC(=O)N(CC)CCN(C)C
InChIInChI=1S/C11H20N2O/c1-5-7-8-11(14)13(6-2)10-9-12(3)4/h1H,6-10H2,2-4H3
InChIKeyHYWQQRCQDQDZAN-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.81
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide

N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide (PubChem CID 89173401) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide
PubChem CID89173401
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide
SMILESC#CCCC(=O)N(CC)CCN(C)C
InChIInChI=1S/C11H20N2O/c1-5-7-8-11(14)13(6-2)10-9-12(3)4/h1H,6-10H2,2-4H3
InChIKeyHYWQQRCQDQDZAN-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide (CID 89173401) is N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide is C#CCCC(=O)N(CC)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide?
The InChIKey is HYWQQRCQDQDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-7-8-11(14)13(6-2)10-9-12(3)4/h1H,6-10H2,2-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide?
N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide has a molecular weight of 196.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide is sourced from PubChem (CID 89173401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).