N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H28N2O — CID 114136231

IUPACN-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCC1CCCCO1
InChIInChI=1S/C15H28N2O/c1-16-12-10-13-5-6-14(11-12)17(13)8-7-15-4-2-3-9-18-15/h12-16H,2-11H2,1H3
InChIKeyJQDLOTAVUIEIKZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds4

About N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114136231) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114136231
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCC1CCCCO1
InChIInChI=1S/C15H28N2O/c1-16-12-10-13-5-6-14(11-12)17(13)8-7-15-4-2-3-9-18-15/h12-16H,2-11H2,1H3
InChIKeyJQDLOTAVUIEIKZ-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-9-(oxolan-2-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711980
9-[2-(oxolan-2-yl)ethyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713145
8-[3-(oxolan-2-yl)propyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 65161841
8-(2-fluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130504670
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107853817
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
3,7-dimethyl-1-[2-(oxan-2-yl)ethyl]-1,5-diazocane
CID 106003150

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 114136231) is N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCC1CCCCO1.
What is the InChIKey of N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JQDLOTAVUIEIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-12-10-13-5-6-14(11-12)17(13)8-7-15-4-2-3-9-18-15/h12-16H,2-11H2,1H3.
What are the key properties of N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[2-(oxan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114136231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).