N-but-3-ynylhex-5-ynamide

C10H13NO — CID 10630847

IUPACN-but-3-ynylhex-5-ynamide
SMILESC#CCCCC(=O)NCCC#C
InChIInChI=1S/C10H13NO/c1-3-5-7-8-10(12)11-9-6-4-2/h1-2H,5-9H2,(H,11,12)
InChIKeyYZESNZPWZYEGSC-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.93
Rot. Bonds5

About N-but-3-ynylhex-5-ynamide

N-but-3-ynylhex-5-ynamide (PubChem CID 10630847) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-but-3-ynylhex-5-ynamide.

Molecular Properties

Compound NameN-but-3-ynylhex-5-ynamide
PubChem CID10630847
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-but-3-ynylhex-5-ynamide
SMILESC#CCCCC(=O)NCCC#C
InChIInChI=1S/C10H13NO/c1-3-5-7-8-10(12)11-9-6-4-2/h1-2H,5-9H2,(H,11,12)
InChIKeyYZESNZPWZYEGSC-UHFFFAOYSA-N
XLogP0.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
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-(2-chloroethyl)hex-5-ynamide
CID 102137890
methyl N-[2-(hex-5-ynoylamino)ethyl]carbamate
CID 177307404
N-but-3-ynylpent-4-enamide
CID 56765704
5-amino-N-but-3-ynylhexanamide
CID 82852148
1,3-bis(but-3-ynyl)urea
CID 21388713
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929
N-(4-hydroxybutyl)pent-4-ynamide
CID 87258816
3-methylsulfanyl-N-pent-4-ynylpropanamide
CID 103708752
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
ethyl 4-(hept-6-ynoylamino)butanoate
CID 103907596
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylhex-5-ynamide?
The IUPAC name of N-but-3-ynylhex-5-ynamide (CID 10630847) is N-but-3-ynylhex-5-ynamide.
What is the SMILES notation for N-but-3-ynylhex-5-ynamide?
The canonical SMILES for N-but-3-ynylhex-5-ynamide is C#CCCCC(=O)NCCC#C.
What is the InChIKey of N-but-3-ynylhex-5-ynamide?
The InChIKey is YZESNZPWZYEGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-5-7-8-10(12)11-9-6-4-2/h1-2H,5-9H2,(H,11,12).
What are the key properties of N-but-3-ynylhex-5-ynamide?
N-but-3-ynylhex-5-ynamide has a molecular weight of 163.22 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylhex-5-ynamide is sourced from PubChem (CID 10630847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).