N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

C13H24N2O — CID 61230843

IUPACN-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O/c1-15(12-4-6-16-7-5-12)13-8-10-2-3-11(9-13)14-10/h10-14H,2-9H2,1H3
InChIKeyBRIPGJCCNDMRBL-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds2

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

N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230843) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230843
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1CCOCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O/c1-15(12-4-6-16-7-5-12)13-8-10-2-3-11(9-13)14-10/h10-14H,2-9H2,1H3
InChIKeyBRIPGJCCNDMRBL-UHFFFAOYSA-N
XLogP1.38
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 45075231
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79901722
N-(1-ethylpiperidin-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231042
N-(oxan-4-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232456
N-methyl-N-(3-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 64516668
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230851
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230477
N-methyl-N-(3-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231424
N-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 62328267
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylmorpholine-4-carboxamide
CID 79152855
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
CID 82746077

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61230843) is N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is CN(C1CCOCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BRIPGJCCNDMRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15(12-4-6-16-7-5-12)13-8-10-2-3-11(9-13)14-10/h10-14H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).