2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide

C16H29N3O — CID 61232127

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H29N3O/c1-4-8-17-16(20)12(3)19(9-5-2)15-10-13-6-7-14(11-15)18-13/h4,12-15,18H,1,5-11H2,2-3H3,(H,17,20)
InChIKeyKXDBICMWKQUFLX-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.67
Rot. Bonds7

About 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide (PubChem CID 61232127) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide
PubChem CID61232127
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H29N3O/c1-4-8-17-16(20)12(3)19(9-5-2)15-10-13-6-7-14(11-15)18-13/h4,12-15,18H,1,5-11H2,2-3H3,(H,17,20)
InChIKeyKXDBICMWKQUFLX-UHFFFAOYSA-N
XLogP1.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide (CID 61232127) is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide?
The InChIKey is KXDBICMWKQUFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-8-17-16(20)12(3)19(9-5-2)15-10-13-6-7-14(11-15)18-13/h4,12-15,18H,1,5-11H2,2-3H3,(H,17,20).
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide?
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-prop-2-enylpropanamide has a molecular weight of 279.43 g/mol, XLogP of 1.67, 7 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(propyl)amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 61232127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).