N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide

C13H24N2O — CID 103520500

IUPACN-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide
SMILESC#CC(CCC)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O/c1-7-9-11(8-2)14-10(3)12(16)15-13(4,5)6/h2,10-11,14H,7,9H2,1,3-6H3,(H,15,16)
InChIKeyUHCUPIMJXUHWBZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.68
Rot. Bonds5

About N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide

N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide (PubChem CID 103520500) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide
PubChem CID103520500
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide
SMILESC#CC(CCC)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N2O/c1-7-9-11(8-2)14-10(3)12(16)15-13(4,5)6/h2,10-11,14H,7,9H2,1,3-6H3,(H,15,16)
InChIKeyUHCUPIMJXUHWBZ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
2-(hex-1-yn-3-ylamino)-N'-hydroxypropanimidamide
CID 106230925
2-(hex-1-yn-3-ylamino)butanoic acid
CID 106227356
N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841
N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
CID 43372165
N-hex-1-yn-3-yl-2-methoxypropanamide
CID 103528920
N-pentyl-2-(pent-1-yn-3-ylamino)propanamide
CID 103577887
N-[1-(4-tert-butylphenyl)ethyl]hex-1-yn-3-amine
CID 106226028
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide (CID 103520500) is N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide is C#CC(CCC)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide?
The InChIKey is UHCUPIMJXUHWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-7-9-11(8-2)14-10(3)12(16)15-13(4,5)6/h2,10-11,14H,7,9H2,1,3-6H3,(H,15,16).
What are the key properties of N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide?
N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide is sourced from PubChem (CID 103520500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).