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

C11H23NO — CID 65166780

IUPAC3-methyl-6-(oxolan-2-yl)hexan-3-amine
SMILESCCC(C)(N)CCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-3-11(2,12)8-4-6-10-7-5-9-13-10/h10H,3-9,12H2,1-2H3
InChIKeyJAEGYOLOAQPRBR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.46
Rot. Bonds5

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

3-methyl-6-(oxolan-2-yl)hexan-3-amine (PubChem CID 65166780) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-6-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name3-methyl-6-(oxolan-2-yl)hexan-3-amine
PubChem CID65166780
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-6-(oxolan-2-yl)hexan-3-amine
SMILESCCC(C)(N)CCCC1CCCO1
InChIInChI=1S/C11H23NO/c1-3-11(2,12)8-4-6-10-7-5-9-13-10/h10H,3-9,12H2,1-2H3
InChIKeyJAEGYOLOAQPRBR-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166782
4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
1-(4-methoxyphenyl)-2-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 65167305
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
2-tetradecyloxolane
CID 10683364
1-cyclobutyl-3-methylpentan-3-amine
CID 131227584

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of 3-methyl-6-(oxolan-2-yl)hexan-3-amine (CID 65166780) is 3-methyl-6-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for 3-methyl-6-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for 3-methyl-6-(oxolan-2-yl)hexan-3-amine is CCC(C)(N)CCCC1CCCO1.
What is the InChIKey of 3-methyl-6-(oxolan-2-yl)hexan-3-amine?
The InChIKey is JAEGYOLOAQPRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-11(2,12)8-4-6-10-7-5-9-13-10/h10H,3-9,12H2,1-2H3.
What are the key properties of 3-methyl-6-(oxolan-2-yl)hexan-3-amine?
3-methyl-6-(oxolan-2-yl)hexan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 65166780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).