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

C12H25NO — CID 65166782

IUPAC3-ethyl-6-(oxolan-2-yl)hexan-3-amine
SMILESCCC(N)(CC)CCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-12(13,4-2)9-5-7-11-8-6-10-14-11/h11H,3-10,13H2,1-2H3
InChIKeyFDJPHVYPPPMWOV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.85
Rot. Bonds6

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

3-ethyl-6-(oxolan-2-yl)hexan-3-amine (PubChem CID 65166782) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethyl-6-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name3-ethyl-6-(oxolan-2-yl)hexan-3-amine
PubChem CID65166782
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethyl-6-(oxolan-2-yl)hexan-3-amine
SMILESCCC(N)(CC)CCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-3-12(13,4-2)9-5-7-11-8-6-10-14-11/h11H,3-10,13H2,1-2H3
InChIKeyFDJPHVYPPPMWOV-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(oxolan-2-yl)octan-4-amine
CID 65170406
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
2-tetradecyloxolane
CID 10683364
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of 3-ethyl-6-(oxolan-2-yl)hexan-3-amine (CID 65166782) is 3-ethyl-6-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for 3-ethyl-6-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for 3-ethyl-6-(oxolan-2-yl)hexan-3-amine is CCC(N)(CC)CCCC1CCCO1.
What is the InChIKey of 3-ethyl-6-(oxolan-2-yl)hexan-3-amine?
The InChIKey is FDJPHVYPPPMWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-12(13,4-2)9-5-7-11-8-6-10-14-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 3-ethyl-6-(oxolan-2-yl)hexan-3-amine?
3-ethyl-6-(oxolan-2-yl)hexan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 65166782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).