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

C16H31N3O — CID 103814955

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
SMILESCCCN(CC)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-3-8-19(4-2)9-7-17-16(20)12-13-10-14-5-6-15(11-13)18-14/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyYKJFYHQGMRXOQN-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds8

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide (PubChem CID 103814955) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
PubChem CID103814955
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
SMILESCCCN(CC)CCNC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-3-8-19(4-2)9-7-17-16(20)12-13-10-14-5-6-15(11-13)18-14/h13-15,18H,3-12H2,1-2H3,(H,17,20)
InChIKeyYKJFYHQGMRXOQN-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dipropylamino)propyl]acetamide;dihydrochloride
CID 119861221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863867
2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride
CID 119896212
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-hydroxypropyl)acetamide
CID 79607673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfinylethyl)acetamide
CID 115739227
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylsulfonylethyl)acetamide
CID 79606940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 119895441
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 79610567
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfinylpropyl)acetamide
CID 115739281
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide (CID 103814955) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide is CCCN(CC)CCNC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide?
The InChIKey is YKJFYHQGMRXOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-8-19(4-2)9-7-17-16(20)12-13-10-14-5-6-15(11-13)18-14/h13-15,18H,3-12H2,1-2H3,(H,17,20).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 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)-N-[2-[ethyl(propyl)amino]ethyl]acetamide is sourced from PubChem (CID 103814955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).