2-methyl-6-(oxolan-3-yl)hexan-3-amine

C11H23NO — CID 142653874

IUPAC2-methyl-6-(oxolan-3-yl)hexan-3-amine
SMILESCC(C)C(N)CCCC1CCOC1
InChIInChI=1S/C11H23NO/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeySJTTVTDOPGBGPM-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds5

About 2-methyl-6-(oxolan-3-yl)hexan-3-amine

2-methyl-6-(oxolan-3-yl)hexan-3-amine (PubChem CID 142653874) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-3-yl)hexan-3-amine.

Molecular Properties

Compound Name2-methyl-6-(oxolan-3-yl)hexan-3-amine
PubChem CID142653874
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-methyl-6-(oxolan-3-yl)hexan-3-amine
SMILESCC(C)C(N)CCCC1CCOC1
InChIInChI=1S/C11H23NO/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h9-11H,3-8,12H2,1-2H3
InChIKeySJTTVTDOPGBGPM-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4-(Oxan-4-yl)butan-2-amine
CID 62386259
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
Cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
rac-(1R,2S)-2-(2-methoxyethyl)cyclopentan-1-amine
CID 93851008
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
1-(5-Methyl-2-tetra-hydrofurfuryl)-2-aminocyclopentane
CID 13025932
12-Ethoxy-3-methyl-4-(3-methylbutan-2-yl)dodecan-1-amine
CID 109375
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
5,5,5-Trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661
6,6,6-Trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
5,5,5-Trifluoro-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105024270
5,5,5-Trifluoro-1-(5-methyloxolan-3-yl)pentan-1-amine
CID 105024352

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(oxolan-3-yl)hexan-3-amine?
The IUPAC name of 2-methyl-6-(oxolan-3-yl)hexan-3-amine (CID 142653874) is 2-methyl-6-(oxolan-3-yl)hexan-3-amine.
What is the SMILES notation for 2-methyl-6-(oxolan-3-yl)hexan-3-amine?
The canonical SMILES for 2-methyl-6-(oxolan-3-yl)hexan-3-amine is CC(C)C(N)CCCC1CCOC1.
What is the InChIKey of 2-methyl-6-(oxolan-3-yl)hexan-3-amine?
The InChIKey is SJTTVTDOPGBGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)11(12)5-3-4-10-6-7-13-8-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 2-methyl-6-(oxolan-3-yl)hexan-3-amine?
2-methyl-6-(oxolan-3-yl)hexan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-3-yl)hexan-3-amine is sourced from PubChem (CID 142653874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).