N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide

C11H19NO — CID 130748573

IUPACN-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide
SMILESC#CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H19NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h1H,8H2,2-6H3,(H,12,13)
InChIKeyTYERETMHHQCOOQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds2

About N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide

N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide (PubChem CID 130748573) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide
PubChem CID130748573
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide
SMILESC#CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C11H19NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h1H,8H2,2-6H3,(H,12,13)
InChIKeyTYERETMHHQCOOQ-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
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

1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
2,2,3-trimethyl-3-(prop-2-ynoylamino)butanoic acid
CID 65261167
N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 22558493
ethane;2,2,4,4-tetramethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 144952637
3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
N-(2,4,4-trimethylpentan-2-yl)but-2-enamide
CID 112725240
1-(aminomethyl)-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
CID 80587591
2-amino-3,3-dimethyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 76887560
2-pyrrolidin-1-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide;hydrochloride
CID 24845344
1-N,1-N'-bis(2,4,4-trimethylpentan-2-yl)cyclobutane-1,1-dicarboxamide
CID 23621833
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3024639

Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide (CID 130748573) is N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide is C#CC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide?
The InChIKey is TYERETMHHQCOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h1H,8H2,2-6H3,(H,12,13).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide?
N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide has a molecular weight of 181.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)prop-2-ynamide is sourced from PubChem (CID 130748573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).