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

C11H17NO — CID 131084572

IUPACN-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide
SMILESC#CC(NC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C11H17NO/c1-5-9(11(2,3)4)12-10(13)8-6-7-8/h1,8-9H,6-7H2,2-4H3,(H,12,13)
InChIKeyXHDBUMDFXCGCOY-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.56
Rot. Bonds2

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

N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide (PubChem CID 131084572) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide
PubChem CID131084572
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide
SMILESC#CC(NC(=O)C1CC1)C(C)(C)C
InChIInChI=1S/C11H17NO/c1-5-9(11(2,3)4)12-10(13)8-6-7-8/h1,8-9H,6-7H2,2-4H3,(H,12,13)
InChIKeyXHDBUMDFXCGCOY-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
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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Related Compounds

4-(4,4-dimethylpent-1-yn-3-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122024777
N-(2,4-dimethylpentan-3-yl)cyclopropanecarboxamide
CID 100609902
N-(1-cyano-2-hydroxy-2-methylpropyl)cyclohexanecarboxamide
CID 144825478
4-(but-3-yn-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114418702
N-but-3-yn-2-yl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114418969
4-tert-butyl-N-hex-1-yn-3-ylcyclohexane-1-carboxamide
CID 114161118
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
tert-butyl N-[4-(but-3-yn-2-ylcarbamoyl)cyclohexyl]carbamate
CID 139335530
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
N-(3,3-dimethyl-2-propan-2-ylbutyl)cyclopropanecarboxamide
CID 58124356
N-(1-bromo-3-methylbutan-2-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 114316175

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide (CID 131084572) is N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide is C#CC(NC(=O)C1CC1)C(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide?
The InChIKey is XHDBUMDFXCGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-5-9(11(2,3)4)12-10(13)8-6-7-8/h1,8-9H,6-7H2,2-4H3,(H,12,13).
What are the key properties of N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide?
N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-yn-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 131084572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).