N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide

C14H22N2O — CID 114028609

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide
SMILESC#CCCC(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O/c1-3-5-6-14(17)16(4-2)13-9-11-7-8-12(10-13)15-11/h1,11-13,15H,4-10H2,2H3
InChIKeyROWCYHNMCMSIAW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.53
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide (PubChem CID 114028609) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide
PubChem CID114028609
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide
SMILESC#CCCC(=O)N(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O/c1-3-5-6-14(17)16(4-2)13-9-11-7-8-12(10-13)15-11/h1,11-13,15H,4-10H2,2H3
InChIKeyROWCYHNMCMSIAW-UHFFFAOYSA-N
XLogP1.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylbutanamide
CID 61231318
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-methylpentanamide
CID 114875579
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-tert-butylsulfanyl-N-ethylacetamide
CID 61230747
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 61232277
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-difluoroacetamide
CID 103514114
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpiperidine-1-carboxamide
CID 79155372
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyloxolane-3-carboxamide
CID 61271461
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61231886
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
ethyl 2-[acetyl-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]acetate
CID 59577523

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide (CID 114028609) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide is C#CCCC(=O)N(CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide?
The InChIKey is ROWCYHNMCMSIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-6-14(17)16(4-2)13-9-11-7-8-12(10-13)15-11/h1,11-13,15H,4-10H2,2H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide has a molecular weight of 234.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpent-4-ynamide is sourced from PubChem (CID 114028609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).