7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide

C14H27N3O — CID 24703971

IUPAC7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide
SMILESNCCCCCCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H27N3O/c15-8-4-2-1-3-5-14(18)16-13-11-17-9-6-12(13)7-10-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyUPYZDZHJAQMYTM-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.11
Rot. Bonds7

About 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide

7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide (PubChem CID 24703971) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide
PubChem CID24703971
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide
SMILESNCCCCCCC(=O)NC1CN2CCC1CC2
InChIInChI=1S/C14H27N3O/c15-8-4-2-1-3-5-14(18)16-13-11-17-9-6-12(13)7-10-17/h12-13H,1-11,15H2,(H,16,18)
InChIKeyUPYZDZHJAQMYTM-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)propanamide
CID 16794770
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
CID 60687389
7-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)heptanamide
CID 43705615
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
6-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)hexanamide
CID 43710195
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240963
7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride
CID 119729134
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55209645
N-(1-azabicyclo[2.2.2]octan-3-ylcarbamothioyl)butanamide
CID 5024760
6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
CID 43712731
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
7-amino-N-(1-prop-2-enylpiperidin-4-yl)heptanamide
CID 119879080

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide?
The IUPAC name of 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide (CID 24703971) is 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide.
What is the SMILES notation for 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide?
The canonical SMILES for 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide is NCCCCCCC(=O)NC1CN2CCC1CC2.
What is the InChIKey of 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide?
The InChIKey is UPYZDZHJAQMYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c15-8-4-2-1-3-5-14(18)16-13-11-17-9-6-12(13)7-10-17/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide?
7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide has a molecular weight of 253.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide is sourced from PubChem (CID 24703971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).