2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine

C16H30N2O — CID 79615063

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
SMILESCN(CCC1CC2CCC(C1)N2)CC1CCOCC1
InChIInChI=1S/C16H30N2O/c1-18(12-13-5-8-19-9-6-13)7-4-14-10-15-2-3-16(11-14)17-15/h13-17H,2-12H2,1H3
InChIKeyZKGGFTPFNNHIHF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 79615063) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
PubChem CID79615063
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
SMILESCN(CCC1CC2CCC(C1)N2)CC1CCOCC1
InChIInChI=1S/C16H30N2O/c1-18(12-13-5-8-19-9-6-13)7-4-14-10-15-2-3-16(11-14)17-15/h13-17H,2-12H2,1H3
InChIKeyZKGGFTPFNNHIHF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79614781
N-methyl-2-(oxan-4-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209752
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclobutylmethyl)-N-ethylethanamine
CID 107399300
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
N-(2-chloroethyl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115215246
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
CID 169307485
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N-(hydrazinylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115261041

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine (CID 79615063) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine is CN(CCC1CC2CCC(C1)N2)CC1CCOCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is ZKGGFTPFNNHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-18(12-13-5-8-19-9-6-13)7-4-14-10-15-2-3-16(11-14)17-15/h13-17H,2-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 79615063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).