3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide

C14H27N3O — CID 61231741

IUPAC3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
SMILESCCN(CCC(=O)N(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O/c1-4-17(8-7-14(18)16(2)3)13-9-11-5-6-12(10-13)15-11/h11-13,15H,4-10H2,1-3H3
InChIKeyUTRONBCDQIHSER-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds5

About 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide

3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide (PubChem CID 61231741) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
PubChem CID61231741
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
SMILESCCN(CCC(=O)N(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H27N3O/c1-4-17(8-7-14(18)16(2)3)13-9-11-5-6-12(10-13)15-11/h11-13,15H,4-10H2,1-3H3
InChIKeyUTRONBCDQIHSER-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-carbamoylpropanamide
CID 61230790
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550
N-ethyl-N-(4-methoxybutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 104648573
N-(2-cyclopentylethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114191604
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpentanamide
CID 61232017
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
CID 61231344
N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 112590844
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
CID 61230595
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N,N-dipropylacetamide
CID 61232221

Frequently Asked Questions

What is the IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide (CID 61231741) is 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide is CCN(CCC(=O)N(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide?
The InChIKey is UTRONBCDQIHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-17(8-7-14(18)16(2)3)13-9-11-5-6-12(10-13)15-11/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide?
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide 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 3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 61231741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).