N-hex-1-yn-3-yl-4-(methylamino)butanamide

C11H20N2O — CID 106230477

IUPACN-hex-1-yn-3-yl-4-(methylamino)butanamide
SMILESC#CC(CCC)NC(=O)CCCNC
InChIInChI=1S/C11H20N2O/c1-4-7-10(5-2)13-11(14)8-6-9-12-3/h2,10,12H,4,6-9H2,1,3H3,(H,13,14)
InChIKeyOTMPJIMHQZAHJS-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds7

About N-hex-1-yn-3-yl-4-(methylamino)butanamide

N-hex-1-yn-3-yl-4-(methylamino)butanamide (PubChem CID 106230477) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-4-(methylamino)butanamide
PubChem CID106230477
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-hex-1-yn-3-yl-4-(methylamino)butanamide
SMILESC#CC(CCC)NC(=O)CCCNC
InChIInChI=1S/C11H20N2O/c1-4-7-10(5-2)13-11(14)8-6-9-12-3/h2,10,12H,4,6-9H2,1,3H3,(H,13,14)
InChIKeyOTMPJIMHQZAHJS-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
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-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
5-chloro-N-hex-1-yn-3-ylpentanamide
CID 106227479
N-hex-1-yn-3-ylhept-6-ynamide
CID 103528473
N-but-3-yn-2-yl-4-(methylamino)butanamide
CID 114417259
2-chloro-N-(hex-1-yn-3-ylcarbamoyl)acetamide
CID 106232693
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
2-[4-(methylamino)butanoylamino]butanoic acid
CID 61161586
3-(methylamino)-N-octan-4-ylpropanamide
CID 106025922
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841
3-(hex-1-yn-3-ylamino)-N,N-dimethylpropanamide
CID 106230179

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-4-(methylamino)butanamide?
The IUPAC name of N-hex-1-yn-3-yl-4-(methylamino)butanamide (CID 106230477) is N-hex-1-yn-3-yl-4-(methylamino)butanamide.
What is the SMILES notation for N-hex-1-yn-3-yl-4-(methylamino)butanamide?
The canonical SMILES for N-hex-1-yn-3-yl-4-(methylamino)butanamide is C#CC(CCC)NC(=O)CCCNC.
What is the InChIKey of N-hex-1-yn-3-yl-4-(methylamino)butanamide?
The InChIKey is OTMPJIMHQZAHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-7-10(5-2)13-11(14)8-6-9-12-3/h2,10,12H,4,6-9H2,1,3H3,(H,13,14).
What are the key properties of N-hex-1-yn-3-yl-4-(methylamino)butanamide?
N-hex-1-yn-3-yl-4-(methylamino)butanamide has a molecular weight of 196.29 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-4-(methylamino)butanamide is sourced from PubChem (CID 106230477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).