1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine

C14H25N — CID 143342553

IUPAC1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine
SMILESC=C(CC)C12CCC(CNC)(CC1)CC2
InChIInChI=1S/C14H25N/c1-4-12(2)14-8-5-13(6-9-14,7-10-14)11-15-3/h15H,2,4-11H2,1,3H3
InChIKeyMMPKFCHHEOFJNN-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine

1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine (PubChem CID 143342553) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine
PubChem CID143342553
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine
SMILESC=C(CC)C12CCC(CNC)(CC1)CC2
InChIInChI=1S/C14H25N/c1-4-12(2)14-8-5-13(6-9-14,7-10-14)11-15-3/h15H,2,4-11H2,1,3H3
InChIKeyMMPKFCHHEOFJNN-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine?
The IUPAC name of 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine (CID 143342553) is 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine is C=C(CC)C12CCC(CNC)(CC1)CC2.
What is the InChIKey of 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine?
The InChIKey is MMPKFCHHEOFJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-12(2)14-8-5-13(6-9-14,7-10-14)11-15-3/h15H,2,4-11H2,1,3H3.
What are the key properties of 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine?
1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-en-2-yl-1-bicyclo[2.2.2]octanyl)-N-methylmethanamine is sourced from PubChem (CID 143342553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).