N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide

C16H26N2O — CID 108915890

IUPACN-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)N/C=C/C2CC2)C1
InChIInChI=1S/C16H26N2O/c1-15(2)8-13-9-16(3,10-15)11-18(13)14(19)17-7-6-12-4-5-12/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,17,19)/b7-6+
InChIKeyNMDLFVYJBMCXCW-VOTSOKGWSA-N
MW262.40 g/mol
LogP3.52
Rot. Bonds2

About N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide

N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 108915890) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID108915890
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)N/C=C/C2CC2)C1
InChIInChI=1S/C16H26N2O/c1-15(2)8-13-9-16(3,10-15)11-18(13)14(19)17-7-6-12-4-5-12/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,17,19)/b7-6+
InChIKeyNMDLFVYJBMCXCW-VOTSOKGWSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 108915890) is N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)N/C=C/C2CC2)C1.
What is the InChIKey of N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is NMDLFVYJBMCXCW-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2)8-13-9-16(3,10-15)11-18(13)14(19)17-7-6-12-4-5-12/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,17,19)/b7-6+.
What are the key properties of N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopropylethenyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 108915890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).