N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride

C14H26ClN3O2 — CID 119458518

IUPACN'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-2-7-15-13(18)5-6-14(19)17-12-8-10-3-4-11(9-12)16-10;/h10-12,16H,2-9H2,1H3,(H,15,18)(H,17,19);1H
InChIKeyMDQYSCDMOVUKEY-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.11
Rot. Bonds6

About N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride

N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride (PubChem CID 119458518) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride.

Molecular Properties

Compound NameN'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
PubChem CID119458518
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC NameN'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride
SMILESCCCNC(=O)CCC(=O)NC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-2-7-15-13(18)5-6-14(19)17-12-8-10-3-4-11(9-12)16-10;/h10-12,16H,2-9H2,1H3,(H,15,18)(H,17,19);1H
InChIKeyMDQYSCDMOVUKEY-UHFFFAOYSA-N
XLogP1.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 61233297
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 119456893
N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
CID 119456671
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119853532
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
CID 119457019
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,3-dimethylbutanamide;hydrochloride
CID 119455659
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methylbutanamide;hydrochloride
CID 119457462
3-(1-adamantylcarbamoylamino)-N-(8-azabicyclo[3.2.1]octan-3-yl)propanamide;hydrochloride
CID 119458641
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
CID 119459100
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dimethylpentanamide;hydrochloride
CID 119459568
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-ethylheptanamide;hydrochloride
CID 119456810

Frequently Asked Questions

What is the IUPAC name of N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride?
The IUPAC name of N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride (CID 119458518) is N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride.
What is the SMILES notation for N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride?
The canonical SMILES for N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride is CCCNC(=O)CCC(=O)NC1CC2CCC(C1)N2.Cl.
What is the InChIKey of N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride?
The InChIKey is MDQYSCDMOVUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-2-7-15-13(18)5-6-14(19)17-12-8-10-3-4-11(9-12)16-10;/h10-12,16H,2-9H2,1H3,(H,15,18)(H,17,19);1H.
What are the key properties of N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride?
N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylbutanediamide;hydrochloride is sourced from PubChem (CID 119458518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).