N-(3,4-dimethylpent-1-yn-3-yl)propanamide

C10H17NO — CID 139811119

IUPACN-(3,4-dimethylpent-1-yn-3-yl)propanamide
SMILESC#CC(C)(NC(=O)CC)C(C)C
InChIInChI=1S/C10H17NO/c1-6-9(12)11-10(5,7-2)8(3)4/h2,8H,6H2,1,3-5H3,(H,11,12)
InChIKeyBIXPXXGUVINISU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.56
Rot. Bonds3

About N-(3,4-dimethylpent-1-yn-3-yl)propanamide

N-(3,4-dimethylpent-1-yn-3-yl)propanamide (PubChem CID 139811119) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(3,4-dimethylpent-1-yn-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylpent-1-yn-3-yl)propanamide
PubChem CID139811119
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(3,4-dimethylpent-1-yn-3-yl)propanamide
SMILESC#CC(C)(NC(=O)CC)C(C)C
InChIInChI=1S/C10H17NO/c1-6-9(12)11-10(5,7-2)8(3)4/h2,8H,6H2,1,3-5H3,(H,11,12)
InChIKeyBIXPXXGUVINISU-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylpent-1-yn-3-yl)propanamide?
The IUPAC name of N-(3,4-dimethylpent-1-yn-3-yl)propanamide (CID 139811119) is N-(3,4-dimethylpent-1-yn-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylpent-1-yn-3-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylpent-1-yn-3-yl)propanamide is C#CC(C)(NC(=O)CC)C(C)C.
What is the InChIKey of N-(3,4-dimethylpent-1-yn-3-yl)propanamide?
The InChIKey is BIXPXXGUVINISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-9(12)11-10(5,7-2)8(3)4/h2,8H,6H2,1,3-5H3,(H,11,12).
What are the key properties of N-(3,4-dimethylpent-1-yn-3-yl)propanamide?
N-(3,4-dimethylpent-1-yn-3-yl)propanamide has a molecular weight of 167.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylpent-1-yn-3-yl)propanamide is sourced from PubChem (CID 139811119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).