N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C16H24N2 — CID 61231293

IUPACN-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24N2/c1-2-18(12-13-6-4-3-5-7-13)16-10-14-8-9-15(11-16)17-14/h3-7,14-17H,2,8-12H2,1H3
InChIKeySYGIAYIDNKRAIT-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.79
Rot. Bonds4

About N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231293) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231293
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCN(Cc1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C16H24N2/c1-2-18(12-13-6-4-3-5-7-13)16-10-14-8-9-15(11-16)17-14/h3-7,14-17H,2,8-12H2,1H3
InChIKeySYGIAYIDNKRAIT-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061
N-ethyl-N-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63208507
N-ethyl-N-(2-phenylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 115328464
N-[(3-chloro-4-fluorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 81155362
N-benzyl-N-ethylpyrrolidin-3-amine
CID 53410837
(3S)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66569411
N-(1H-benzimidazol-2-ylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231357
N-[(4-iodophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65477240
4-[[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]methyl]-2-methoxyphenol
CID 61233395
N-[(3-bromophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231881
N-[(2,5-dichlorophenyl)methyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65316564

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231293) is N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCN(Cc1ccccc1)C1CC2CCC(C1)N2.
What is the InChIKey of N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SYGIAYIDNKRAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-18(12-13-6-4-3-5-7-13)16-10-14-8-9-15(11-16)17-14/h3-7,14-17H,2,8-12H2,1H3.
What are the key properties of N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).