N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine

C14H27NO2 — CID 80685208

IUPACN-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)C1(C)CCCCO1
InChIInChI=1S/C14H27NO2/c1-14(7-3-4-8-17-14)13(15-2)11-12-5-9-16-10-6-12/h12-13,15H,3-11H2,1-2H3
InChIKeyVPQCLVQZZVJSAL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine

N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 80685208) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine
PubChem CID80685208
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCOCC1)C1(C)CCCCO1
InChIInChI=1S/C14H27NO2/c1-14(7-3-4-8-17-14)13(15-2)11-12-5-9-16-10-6-12/h12-13,15H,3-11H2,1-2H3
InChIKeyVPQCLVQZZVJSAL-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 104986588
2-cyclopropyl-1-(2-methyloxan-2-yl)ethanol
CID 80684699
N,3-dimethyl-1-(2-methyloxan-2-yl)pentan-1-amine
CID 80683840
N-methyl-1-(2-methyloxan-2-yl)pent-3-yn-1-amine
CID 80684750
N-methyl-1-(2-methyloxan-2-yl)-1-(oxan-3-yl)methanamine
CID 107136743
2-cyclobutyl-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764713
4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
CID 114856674
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684611
1-(1-methylcyclopentyl)-2-(oxan-4-yl)ethanamine
CID 115846609
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine (CID 80685208) is N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine is CNC(CC1CCOCC1)C1(C)CCCCO1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is VPQCLVQZZVJSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(7-3-4-8-17-14)13(15-2)11-12-5-9-16-10-6-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine?
N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 80685208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).