N-ethyl-N-prop-1-ynylhex-5-ynamide

C11H15NO — CID 90972570

IUPACN-ethyl-N-prop-1-ynylhex-5-ynamide
SMILESC#CCCCC(=O)N(C#CC)CC
InChIInChI=1S/C11H15NO/c1-4-7-8-9-11(13)12(6-3)10-5-2/h1H,6-9H2,2-3H3
InChIKeyOQJYLASNUAWDJD-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.62
Rot. Bonds4

About N-ethyl-N-prop-1-ynylhex-5-ynamide

N-ethyl-N-prop-1-ynylhex-5-ynamide (PubChem CID 90972570) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-ethyl-N-prop-1-ynylhex-5-ynamide.

Molecular Properties

Compound NameN-ethyl-N-prop-1-ynylhex-5-ynamide
PubChem CID90972570
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-ethyl-N-prop-1-ynylhex-5-ynamide
SMILESC#CCCCC(=O)N(C#CC)CC
InChIInChI=1S/C11H15NO/c1-4-7-8-9-11(13)12(6-3)10-5-2/h1H,6-9H2,2-3H3
InChIKeyOQJYLASNUAWDJD-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[ethyl(hept-6-ynoyl)amino]propanoate
CID 103908144
ethyl 3-[methyl(pent-4-ynyl)amino]propanoate
CID 115872974
trideca-6,12-diyn-2-one
CID 14736662
N-[2-(dimethylamino)ethyl]-N-ethylpent-4-ynamide
CID 89173401
nonadec-18-yn-8-one
CID 142782006
1-bromohept-6-yn-2-one
CID 46180062
N-(5-hydroxypentyl)-N-methylhept-6-ynamide
CID 107300861
1-(3,5-dimethylphenyl)hex-5-yn-1-one
CID 115798384
1-(methylamino)oct-7-yn-3-one
CID 116561124
1-methylsulfonylhept-6-yn-2-one
CID 115798471
1-aminonon-8-yn-4-one
CID 116553278
2-methylhept-1-en-6-yne
CID 10396805

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-1-ynylhex-5-ynamide?
The IUPAC name of N-ethyl-N-prop-1-ynylhex-5-ynamide (CID 90972570) is N-ethyl-N-prop-1-ynylhex-5-ynamide.
What is the SMILES notation for N-ethyl-N-prop-1-ynylhex-5-ynamide?
The canonical SMILES for N-ethyl-N-prop-1-ynylhex-5-ynamide is C#CCCCC(=O)N(C#CC)CC.
What is the InChIKey of N-ethyl-N-prop-1-ynylhex-5-ynamide?
The InChIKey is OQJYLASNUAWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-7-8-9-11(13)12(6-3)10-5-2/h1H,6-9H2,2-3H3.
What are the key properties of N-ethyl-N-prop-1-ynylhex-5-ynamide?
N-ethyl-N-prop-1-ynylhex-5-ynamide has a molecular weight of 177.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-1-ynylhex-5-ynamide is sourced from PubChem (CID 90972570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).