2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine

C17H29N — CID 63504995

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1=CCCCC1
InChIInChI=1S/C17H29N/c1-2-18-17(14-6-4-3-5-7-14)12-16-11-13-8-9-15(16)10-13/h6,13,15-18H,2-5,7-12H2,1H3
InChIKeyUYNBMCPCVCMPPM-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.29
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine (PubChem CID 63504995) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine
PubChem CID63504995
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1=CCCCC1
InChIInChI=1S/C17H29N/c1-2-18-17(14-6-4-3-5-7-14)12-16-11-13-8-9-15(16)10-13/h6,13,15-18H,2-5,7-12H2,1H3
InChIKeyUYNBMCPCVCMPPM-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.29
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 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine (CID 63504995) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine is CCNC(CC1CC2CCC1C2)C1=CCCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine?
The InChIKey is UYNBMCPCVCMPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-2-18-17(14-6-4-3-5-7-14)12-16-11-13-8-9-15(16)10-13/h6,13,15-18H,2-5,7-12H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine has a molecular weight of 247.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)-N-ethylethanamine is sourced from PubChem (CID 63504995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).