2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide

C14H27N3O — CID 60690885

IUPAC2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1CN2CCC1CC2
InChIInChI=1S/C14H27N3O/c1-3-4-11(2)16-14(18)9-15-13-10-17-7-5-12(13)6-8-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyARMNLVSHABEUDU-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds6

About 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide

2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide (PubChem CID 60690885) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide
PubChem CID60690885
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CNC1CN2CCC1CC2
InChIInChI=1S/C14H27N3O/c1-3-4-11(2)16-14(18)9-15-13-10-17-7-5-12(13)6-8-17/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyARMNLVSHABEUDU-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 43195141
2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide
CID 54957422
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-pentan-2-ylacetamide
CID 106360724
N-pentan-2-yl-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695886
2-(cycloheptylamino)-N-pentan-2-ylacetamide
CID 60688089
2-(cyclohexylamino)-N-pentan-2-ylacetamide
CID 60683795
2-[(2-methoxycyclopentyl)amino]-N-pentan-2-ylacetamide
CID 62088034
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
CID 105363868
2-(1-azabicyclo[2.2.2]octan-3-ylamino)pentanoic acid
CID 65055562
2-[(3-methylcyclopentyl)amino]-N-pentan-2-ylacetamide
CID 114545702
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]prop-2-enoic acid
CID 103235388
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2-cyanoethyl)acetamide
CID 43180244

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide (CID 60690885) is 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CNC1CN2CCC1CC2.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide?
The InChIKey is ARMNLVSHABEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-4-11(2)16-14(18)9-15-13-10-17-7-5-12(13)6-8-17/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide?
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide is sourced from PubChem (CID 60690885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).