2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride

C15H29Cl2N3O — CID 119863867

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
SMILESCN(CCNC(=O)CC1CC2CCC(C1)N2)C1CC1.Cl.Cl
InChIInChI=1S/C15H27N3O.2ClH/c1-18(14-4-5-14)7-6-16-15(19)10-11-8-12-2-3-13(9-11)17-12;;/h11-14,17H,2-10H2,1H3,(H,16,19);2*1H
InChIKeyRCPIEAGSYWKEGA-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.96
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride (PubChem CID 119863867) has the molecular formula C15H29Cl2N3O and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
PubChem CID119863867
Molecular FormulaC15H29Cl2N3O
Molecular Weight338.32 g/mol
Exact Mass337.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
SMILESCN(CCNC(=O)CC1CC2CCC(C1)N2)C1CC1.Cl.Cl
InChIInChI=1S/C15H27N3O.2ClH/c1-18(14-4-5-14)7-6-16-15(19)10-11-8-12-2-3-13(9-11)17-12;;/h11-14,17H,2-10H2,1H3,(H,16,19);2*1H
InChIKeyRCPIEAGSYWKEGA-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 103814955
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-[4-(dimethylamino)piperidin-1-yl]ethyl]acetamide
CID 119895441
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864
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
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propanamide
CID 79607251
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
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
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride (CID 119863867) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride is CN(CCNC(=O)CC1CC2CCC(C1)N2)C1CC1.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride?
The InChIKey is RCPIEAGSYWKEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.2ClH/c1-18(14-4-5-14)7-6-16-15(19)10-11-8-12-2-3-13(9-11)17-12;;/h11-14,17H,2-10H2,1H3,(H,16,19);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride has a molecular weight of 338.32 g/mol, XLogP of 1.96, 6 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-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride is sourced from PubChem (CID 119863867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).