N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine

C13H23N — CID 126626769

IUPACN-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine
SMILESCCNCC1CC2C=CC(C(C)C)C21
InChIInChI=1S/C13H23N/c1-4-14-8-11-7-10-5-6-12(9(2)3)13(10)11/h5-6,9-14H,4,7-8H2,1-3H3
InChIKeyXDIQHYZCKYEHLG-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.69
Rot. Bonds4

About N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine

N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine (PubChem CID 126626769) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine
PubChem CID126626769
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine
SMILESCCNCC1CC2C=CC(C(C)C)C21
InChIInChI=1S/C13H23N/c1-4-14-8-11-7-10-5-6-12(9(2)3)13(10)11/h5-6,9-14H,4,7-8H2,1-3H3
InChIKeyXDIQHYZCKYEHLG-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.69
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 N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine?
The IUPAC name of N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine (CID 126626769) is N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine?
The canonical SMILES for N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine is CCNCC1CC2C=CC(C(C)C)C21.
What is the InChIKey of N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine?
The InChIKey is XDIQHYZCKYEHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-14-8-11-7-10-5-6-12(9(2)3)13(10)11/h5-6,9-14H,4,7-8H2,1-3H3.
What are the key properties of N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine?
N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine has a molecular weight of 193.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yl-6-bicyclo[3.2.0]hept-2-enyl)methyl]ethanamine is sourced from PubChem (CID 126626769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).