5-amino-N-but-3-ynylhexanamide

C10H18N2O — CID 82852148

IUPAC5-amino-N-but-3-ynylhexanamide
SMILESC#CCCNC(=O)CCCC(C)N
InChIInChI=1S/C10H18N2O/c1-3-4-8-12-10(13)7-5-6-9(2)11/h1,9H,4-8,11H2,2H3,(H,12,13)
InChIKeyISCLXVZOQHXUOE-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds6

About 5-amino-N-but-3-ynylhexanamide

5-amino-N-but-3-ynylhexanamide (PubChem CID 82852148) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-amino-N-but-3-ynylhexanamide.

Molecular Properties

Compound Name5-amino-N-but-3-ynylhexanamide
PubChem CID82852148
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-amino-N-but-3-ynylhexanamide
SMILESC#CCCNC(=O)CCCC(C)N
InChIInChI=1S/C10H18N2O/c1-3-4-8-12-10(13)7-5-6-9(2)11/h1,9H,4-8,11H2,2H3,(H,12,13)
InChIKeyISCLXVZOQHXUOE-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-but-3-ynylhex-5-ynamide
CID 10630847
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
2-(5-aminohexanoylamino)pent-4-ynoic acid
CID 82853867
N-(5-hydroxy-4-methylpentyl)pent-4-ynamide
CID 106155721
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
(4R)-4-amino-N-propylpentanamide
CID 146234117
5-amino-N-cyanohexanamide
CID 82852451

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-but-3-ynylhexanamide?
The IUPAC name of 5-amino-N-but-3-ynylhexanamide (CID 82852148) is 5-amino-N-but-3-ynylhexanamide.
What is the SMILES notation for 5-amino-N-but-3-ynylhexanamide?
The canonical SMILES for 5-amino-N-but-3-ynylhexanamide is C#CCCNC(=O)CCCC(C)N.
What is the InChIKey of 5-amino-N-but-3-ynylhexanamide?
The InChIKey is ISCLXVZOQHXUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-8-12-10(13)7-5-6-9(2)11/h1,9H,4-8,11H2,2H3,(H,12,13).
What are the key properties of 5-amino-N-but-3-ynylhexanamide?
5-amino-N-but-3-ynylhexanamide has a molecular weight of 182.27 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-but-3-ynylhexanamide is sourced from PubChem (CID 82852148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).