N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine

C18H31N — CID 63504503

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)C1=CCCCC1
InChIInChI=1S/C18H31N/c1-2-10-19-18(15-6-4-3-5-7-15)13-17-12-14-8-9-16(17)11-14/h6,14,16-19H,2-5,7-13H2,1H3
InChIKeyOKGQALHBNAXECY-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.68
Rot. Bonds6

About N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine (PubChem CID 63504503) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine
PubChem CID63504503
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)C1=CCCCC1
InChIInChI=1S/C18H31N/c1-2-10-19-18(15-6-4-3-5-7-15)13-17-12-14-8-9-16(17)11-14/h6,14,16-19H,2-5,7-13H2,1H3
InChIKeyOKGQALHBNAXECY-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.68
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-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine (CID 63504503) is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine is CCCNC(CC1CC2CCC1C2)C1=CCCCC1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine?
The InChIKey is OKGQALHBNAXECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-10-19-18(15-6-4-3-5-7-15)13-17-12-14-8-9-16(17)11-14/h6,14,16-19H,2-5,7-13H2,1H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(cyclohexen-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63504503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).