2-[3-(2-methylpropyl)oxan-3-yl]ethanamine

C11H23NO — CID 83817501

IUPAC2-[3-(2-methylpropyl)oxan-3-yl]ethanamine
SMILESCC(C)CC1(CCN)CCCOC1
InChIInChI=1S/C11H23NO/c1-10(2)8-11(5-6-12)4-3-7-13-9-11/h10H,3-9,12H2,1-2H3
InChIKeyYYWYSXYZEVMXKL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds4

About 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine

2-[3-(2-methylpropyl)oxan-3-yl]ethanamine (PubChem CID 83817501) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)oxan-3-yl]ethanamine
PubChem CID83817501
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-[3-(2-methylpropyl)oxan-3-yl]ethanamine
SMILESCC(C)CC1(CCN)CCCOC1
InChIInChI=1S/C11H23NO/c1-10(2)8-11(5-6-12)4-3-7-13-9-11/h10H,3-9,12H2,1-2H3
InChIKeyYYWYSXYZEVMXKL-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylpropyl)cyclopropyl]ethanamine
CID 82418022
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine
CID 63741416
3-(2-aminoethyl)oxan-3-ol
CID 79123930
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
3,3-dipentyloxane
CID 174267507
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 63741378
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
3-(bromomethyl)-3-(2-methylprop-2-enyl)oxane
CID 165445953

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine?
The IUPAC name of 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine (CID 83817501) is 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine is CC(C)CC1(CCN)CCCOC1.
What is the InChIKey of 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine?
The InChIKey is YYWYSXYZEVMXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)8-11(5-6-12)4-3-7-13-9-11/h10H,3-9,12H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine?
2-[3-(2-methylpropyl)oxan-3-yl]ethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)oxan-3-yl]ethanamine is sourced from PubChem (CID 83817501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).