N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide

C12H19NO — CID 78971175

IUPACN-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide
SMILESC#CCN(CC)C(=O)C1(C)CCCC1
InChIInChI=1S/C12H19NO/c1-4-10-13(5-2)11(14)12(3)8-6-7-9-12/h1H,5-10H2,2-3H3
InChIKeyPFYIKPHTFOKONP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.05
Rot. Bonds3

About N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide

N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide (PubChem CID 78971175) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide
PubChem CID78971175
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide
SMILESC#CCN(CC)C(=O)C1(C)CCCC1
InChIInChI=1S/C12H19NO/c1-4-10-13(5-2)11(14)12(3)8-6-7-9-12/h1H,5-10H2,2-3H3
InChIKeyPFYIKPHTFOKONP-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 104986182
N-ethyl-N-prop-2-ynyladamantane-1-carboxamide
CID 78971141
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106827331
N-ethyl-1-methyl-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 143843399
1-(4-aminophenyl)-N-ethyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 112558429
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
N,2-dimethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 104597142
N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106828141
2-ethyl-1-[ethyl(prop-2-ynyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070179
3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
CID 78970322
2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979079

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide (CID 78971175) is N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide is C#CCN(CC)C(=O)C1(C)CCCC1.
What is the InChIKey of N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide?
The InChIKey is PFYIKPHTFOKONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-10-13(5-2)11(14)12(3)8-6-7-9-12/h1H,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide?
N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-prop-2-ynylcyclopentane-1-carboxamide is sourced from PubChem (CID 78971175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).