2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide

C17H32N2O — CID 141121353

IUPAC2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C12CCC(CC1)CC2N
InChIInChI=1S/C17H32N2O/c1-3-5-11-19(12-6-4-2)16(20)17-9-7-14(8-10-17)13-15(17)18/h14-15H,3-13,18H2,1-2H3
InChIKeyVFUUBKDYXOHMRZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds7

About 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide

2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide (PubChem CID 141121353) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide
PubChem CID141121353
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide
SMILESCCCCN(CCCC)C(=O)C12CCC(CC1)CC2N
InChIInChI=1S/C17H32N2O/c1-3-5-11-19(12-6-4-2)16(20)17-9-7-14(8-10-17)13-15(17)18/h14-15H,3-13,18H2,1-2H3
InChIKeyVFUUBKDYXOHMRZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65456425
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CID 60953140
1-(aminomethyl)-N-butyl-N,4-dimethylcyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide?
The IUPAC name of 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide (CID 141121353) is 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide.
What is the SMILES notation for 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide?
The canonical SMILES for 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide is CCCCN(CCCC)C(=O)C12CCC(CC1)CC2N.
What is the InChIKey of 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide?
The InChIKey is VFUUBKDYXOHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-5-11-19(12-6-4-2)16(20)17-9-7-14(8-10-17)13-15(17)18/h14-15H,3-13,18H2,1-2H3.
What are the key properties of 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide?
2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dibutylbicyclo[2.2.2]octane-1-carboxamide is sourced from PubChem (CID 141121353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).