2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine

C20H30N2 — CID 171973631

IUPAC2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCC1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2/c1-3-21(4-2)13-12-18-14-19-10-11-20(15-18)22(19)16-17-8-6-5-7-9-17/h5-9,14,19-20H,3-4,10-13,15-16H2,1-2H3
InChIKeyXVTYUEKHKILSCV-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.08
Rot. Bonds7

About 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine

2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine (PubChem CID 171973631) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine
PubChem CID171973631
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCC1=CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C20H30N2/c1-3-21(4-2)13-12-18-14-19-10-11-20(15-18)22(19)16-17-8-6-5-7-9-17/h5-9,14,19-20H,3-4,10-13,15-16H2,1-2H3
InChIKeyXVTYUEKHKILSCV-UHFFFAOYSA-N
XLogP4.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-benzyl-3-[2-(2-ethoxyphenoxy)ethyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171969286
9-benzyl-3-decyl-9-azabicyclo[3.3.1]non-2-ene
CID 171970336
8-benzyl-3-oct-2-ynyl-8-azabicyclo[3.2.1]oct-2-ene
CID 171972624
8-benzyl-3-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171971578
4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diphenylaniline
CID 171966604
8-benzyl-3-(2-ethylphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171972933
9-benzyl-3-(4,4,4-trifluorobutyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171972617
8-benzyl-3-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171967174
(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) methanesulfonate
CID 87551688
8-benzyl-3-(9H-fluoren-9-yl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171968591
2-[4-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenoxy]-N,N-dimethylethanamine
CID 171969390
9-benzyl-3-[(3,4,5-trifluorophenyl)methyl]-9-azabicyclo[3.3.1]non-2-ene
CID 171969820

Frequently Asked Questions

What is the IUPAC name of 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine (CID 171973631) is 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine is CCN(CC)CCC1=CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine?
The InChIKey is XVTYUEKHKILSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-21(4-2)13-12-18-14-19-10-11-20(15-18)22(19)16-17-8-6-5-7-9-17/h5-9,14,19-20H,3-4,10-13,15-16H2,1-2H3.
What are the key properties of 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine?
2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine has a molecular weight of 298.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)-N,N-diethylethanamine is sourced from PubChem (CID 171973631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).