N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide

C10H16N2O — CID 131043316

IUPACN-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide
SMILESC#CC(C)(CC)NC(=O)C1CNC1
InChIInChI=1S/C10H16N2O/c1-4-10(3,5-2)12-9(13)8-6-11-7-8/h1,8,11H,5-7H2,2-3H3,(H,12,13)
InChIKeyYHIMVOBKBDCUGI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.12
Rot. Bonds3

About N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide

N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide (PubChem CID 131043316) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide
PubChem CID131043316
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide
SMILESC#CC(C)(CC)NC(=O)C1CNC1
InChIInChI=1S/C10H16N2O/c1-4-10(3,5-2)12-9(13)8-6-11-7-8/h1,8,11H,5-7H2,2-3H3,(H,12,13)
InChIKeyYHIMVOBKBDCUGI-UHFFFAOYSA-N
XLogP0.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.12
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-(1-amino-2-methylpropan-2-yl)azetidine-3-carboxamide
CID 130616999
2-amino-2-methyl-N-(3-methylpent-1-yn-3-yl)propanamide
CID 130756424
N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide
CID 131197882
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
N-(2-cyclobutylpropan-2-yl)azetidine-3-carboxamide
CID 131001608
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
CID 3916831
4-methyl-N-(2-methylpentan-2-yl)pyrrolidine-3-carboxamide
CID 115747606
(1S,5R)-N-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 130662861
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide
CID 3649343
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide?
The IUPAC name of N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide (CID 131043316) is N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide?
The canonical SMILES for N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide is C#CC(C)(CC)NC(=O)C1CNC1.
What is the InChIKey of N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide?
The InChIKey is YHIMVOBKBDCUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-10(3,5-2)12-9(13)8-6-11-7-8/h1,8,11H,5-7H2,2-3H3,(H,12,13).
What are the key properties of N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide?
N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpent-1-yn-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 131043316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).