N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline

C19H26N2 — CID 43781182

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccccc1N1CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C19H26N2/c1-14(17-13-15-8-9-16(17)12-15)20-18-6-2-3-7-19(18)21-10-4-5-11-21/h2-3,6-9,14-17,20H,4-5,10-13H2,1H3
InChIKeyUVDQYUBYYGRPRR-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.30
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline (PubChem CID 43781182) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
PubChem CID43781182
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline
SMILESCC(Nc1ccccc1N1CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C19H26N2/c1-14(17-13-15-8-9-16(17)12-15)20-18-6-2-3-7-19(18)21-10-4-5-11-21/h2-3,6-9,14-17,20H,4-5,10-13H2,1H3
InChIKeyUVDQYUBYYGRPRR-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-ethylsulfonylaniline
CID 43789595
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-fluoroaniline
CID 43762976
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-propan-2-ylaniline
CID 43768990
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-bromo-2-methylaniline
CID 43787868
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-chloro-4-methylaniline
CID 43772670
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
N-(1-cyclopropylethyl)-2-morpholin-4-ylaniline
CID 43717242
N-(1-cyclopropylpropyl)-2-pyrrolidin-1-ylaniline
CID 64917339
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43783964

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline (CID 43781182) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline is CC(Nc1ccccc1N1CCCC1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline?
The InChIKey is UVDQYUBYYGRPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14(17-13-15-8-9-16(17)12-15)20-18-6-2-3-7-19(18)21-10-4-5-11-21/h2-3,6-9,14-17,20H,4-5,10-13H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline has a molecular weight of 282.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43781182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).