2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide

C12H23N3O — CID 105363868

IUPAC2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC1CCN2CCC1C2
InChIInChI=1S/C12H23N3O/c1-2-5-13-12(16)8-14-11-4-7-15-6-3-10(11)9-15/h10-11,14H,2-9H2,1H3,(H,13,16)
InChIKeyLMUXGDPCBMMMNR-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.20
Rot. Bonds5

About 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide

2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide (PubChem CID 105363868) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide.

Molecular Properties

Compound Name2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
PubChem CID105363868
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide
SMILESCCCNC(=O)CNC1CCN2CCC1C2
InChIInChI=1S/C12H23N3O/c1-2-5-13-12(16)8-14-11-4-7-15-6-3-10(11)9-15/h10-11,14H,2-9H2,1H3,(H,13,16)
InChIKeyLMUXGDPCBMMMNR-UHFFFAOYSA-N
XLogP0.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
CID 105363972
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2-cyanoethyl)acetamide
CID 43180244
N-octyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105364790
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-pentan-2-ylacetamide
CID 60690885
2-[(2,3-dimethylcyclopentyl)amino]-N-propylacetamide
CID 64907846
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
N-(3,3-dimethylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364921
N-(1-azabicyclo[3.3.1]nonan-4-yl)propanamide
CID 130934342
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpentanoic acid
CID 105366139
2-[(1,2-dimethylpiperidin-4-yl)amino]-N-propylacetamide
CID 81301265
tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 105366218

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide?
The IUPAC name of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide (CID 105363868) is 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide.
What is the SMILES notation for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide?
The canonical SMILES for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide is CCCNC(=O)CNC1CCN2CCC1C2.
What is the InChIKey of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide?
The InChIKey is LMUXGDPCBMMMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-5-13-12(16)8-14-11-4-7-15-6-3-10(11)9-15/h10-11,14H,2-9H2,1H3,(H,13,16).
What are the key properties of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide?
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide has a molecular weight of 225.34 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylacetamide is sourced from PubChem (CID 105363868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).