N,N-diethylhept-6-ynamide

C11H19NO — CID 86003253

IUPACN,N-diethylhept-6-ynamide
SMILESC#CCCCCC(=O)N(CC)CC
InChIInChI=1S/C11H19NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h1H,5-10H2,2-3H3
InChIKeyPTFBDMRUCVBXJK-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.05
Rot. Bonds6

About N,N-diethylhept-6-ynamide

N,N-diethylhept-6-ynamide (PubChem CID 86003253) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N-diethylhept-6-ynamide.

Molecular Properties

Compound NameN,N-diethylhept-6-ynamide
PubChem CID86003253
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,N-diethylhept-6-ynamide
SMILESC#CCCCCC(=O)N(CC)CC
InChIInChI=1S/C11H19NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h1H,5-10H2,2-3H3
InChIKeyPTFBDMRUCVBXJK-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutylhexanamide
CID 304113
N,N-Dipropylhexanamide
CID 221999
N,N-dipropylpentanamide
CID 304102
N,N-Diethylhexanamide
CID 221977
n,n-Diethylpentanamide
CID 285599
N,N-diethylheptanamide
CID 304083
N,N-dibutylpentanamide
CID 304103
N,N-di-i-propylhexanamide
CID 4113441
N-Methyl-N-butylhexanamide
CID 14950147
Hexanamide, N-ethyl-N-pentyl-
CID 91693911
Hexanamide, N-ethyl-N-hexyl-
CID 91693923
Hexanamide, N-ethyl-N-heptyl-
CID 91693934

Frequently Asked Questions

What is the IUPAC name of N,N-diethylhept-6-ynamide?
The IUPAC name of N,N-diethylhept-6-ynamide (CID 86003253) is N,N-diethylhept-6-ynamide.
What is the SMILES notation for N,N-diethylhept-6-ynamide?
The canonical SMILES for N,N-diethylhept-6-ynamide is C#CCCCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethylhept-6-ynamide?
The InChIKey is PTFBDMRUCVBXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-7-8-9-10-11(13)12(5-2)6-3/h1H,5-10H2,2-3H3.
What are the key properties of N,N-diethylhept-6-ynamide?
N,N-diethylhept-6-ynamide has a molecular weight of 181.28 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylhept-6-ynamide is sourced from PubChem (CID 86003253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).