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

C13H25N3O — CID 105363972

IUPAC2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCN2CCC1C2
InChIInChI=1S/C13H25N3O/c1-3-6-14-13(17)10(2)15-12-5-8-16-7-4-11(12)9-16/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyZDDJMHPBJNHLSB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.58
Rot. Bonds5

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

2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide (PubChem CID 105363972) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
PubChem CID105363972
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC1CCN2CCC1C2
InChIInChI=1S/C13H25N3O/c1-3-6-14-13(17)10(2)15-12-5-8-16-7-4-11(12)9-16/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyZDDJMHPBJNHLSB-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopropyl(3,6-diazabicyclo[3.2.1]octan-3-yl)methanone
CID 58488107
cyclopropyl-[(1S,5R)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71450171
cyclopropyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 71451994
1-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-methylpropan-1-one
CID 97528501
1-(Azepan-1-yl)-2-(piperazin-1-yl)propan-1-one
CID 13345094
N-propan-2-yl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 156601541
2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide
CID 47012774
2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide
CID 71927682
2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 72837164
rel-(3R,4S)-1-[2-(1-azepanyl)-2-oxoethyl]-4-cyclopropyl-3-pyrrolidinamine dihydrochloride
CID 72841857
1-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-methylpropan-1-one;hydrochloride
CID 127021229
1-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-3-fluoropropan-1-one
CID 58488089

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide?
The IUPAC name of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide (CID 105363972) is 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide?
The canonical SMILES for 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC1CCN2CCC1C2.
What is the InChIKey of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide?
The InChIKey is ZDDJMHPBJNHLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-6-14-13(17)10(2)15-12-5-8-16-7-4-11(12)9-16/h10-12,15H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide?
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 0.58, 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-propylpropanamide is sourced from PubChem (CID 105363972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).