2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide

C14H27N3O — CID 61230973

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O/c1-4-16(3)14(18)10-17(5-2)13-8-11-6-7-12(9-13)15-11/h11-13,15H,4-10H2,1-3H3
InChIKeySMOZZFMXTIHTPY-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds5

About 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide

2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide (PubChem CID 61230973) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
PubChem CID61230973
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(CC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O/c1-4-16(3)14(18)10-17(5-2)13-8-11-6-7-12(9-13)15-11/h11-13,15H,4-10H2,1-3H3
InChIKeySMOZZFMXTIHTPY-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
CID 61230595
ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
CID 61231344
N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79173476
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N,N-dipropylacetamide
CID 61232221
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-carbamoylpropanamide
CID 61230790
N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 115328464
N-ethyl-N-(2-ethylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231107

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide (CID 61230973) is 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN(CC)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is SMOZZFMXTIHTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-16(3)14(18)10-17(5-2)13-8-11-6-7-12(9-13)15-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 61230973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).