N-hex-5-yn-3-yl-3-methylpentanamide

C12H21NO — CID 114876499

IUPACN-hex-5-yn-3-yl-3-methylpentanamide
SMILESC#CCC(CC)NC(=O)CC(C)CC
InChIInChI=1S/C12H21NO/c1-5-8-11(7-3)13-12(14)9-10(4)6-2/h1,10-11H,6-9H2,2-4H3,(H,13,14)
InChIKeyXSUUEDYXLDLPBQ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds6

About N-hex-5-yn-3-yl-3-methylpentanamide

N-hex-5-yn-3-yl-3-methylpentanamide (PubChem CID 114876499) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-3-methylpentanamide.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-3-methylpentanamide
PubChem CID114876499
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-hex-5-yn-3-yl-3-methylpentanamide
SMILESC#CCC(CC)NC(=O)CC(C)CC
InChIInChI=1S/C12H21NO/c1-5-8-11(7-3)13-12(14)9-10(4)6-2/h1,10-11H,6-9H2,2-4H3,(H,13,14)
InChIKeyXSUUEDYXLDLPBQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpentanoylamino)pent-4-ynoic acid
CID 114873842
(3S)-3-(aminomethyl)-N-hex-5-yn-3-yl-5-methylhexanamide
CID 104864178
N-hex-5-yn-3-yl-2-propan-2-yloxyacetamide
CID 115647124
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127
3-methyl-5-oxo-5-(pentan-3-ylamino)pentanoic acid
CID 62966244
(2S)-2-amino-N-[2-(hex-5-yn-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 113477462
2,2,2-trifluoro-N-hex-5-yn-3-ylacetamide
CID 115647459
(2S,3S)-2-amino-N-hex-5-yn-3-yl-3-methylpentanamide
CID 104864186
N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
CID 114876936
3-hydroxy-2-(3-methylpentanoylamino)butanoic acid
CID 114873567
4,4-difluoro-N-hex-5-yn-3-ylcyclohexane-1-carboxamide
CID 115774826
2-(3,5-dimethylpyrazol-1-yl)-N-hex-5-yn-3-ylacetamide
CID 115647178

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-3-methylpentanamide?
The IUPAC name of N-hex-5-yn-3-yl-3-methylpentanamide (CID 114876499) is N-hex-5-yn-3-yl-3-methylpentanamide.
What is the SMILES notation for N-hex-5-yn-3-yl-3-methylpentanamide?
The canonical SMILES for N-hex-5-yn-3-yl-3-methylpentanamide is C#CCC(CC)NC(=O)CC(C)CC.
What is the InChIKey of N-hex-5-yn-3-yl-3-methylpentanamide?
The InChIKey is XSUUEDYXLDLPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-8-11(7-3)13-12(14)9-10(4)6-2/h1,10-11H,6-9H2,2-4H3,(H,13,14).
What are the key properties of N-hex-5-yn-3-yl-3-methylpentanamide?
N-hex-5-yn-3-yl-3-methylpentanamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-3-methylpentanamide is sourced from PubChem (CID 114876499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).