6-ethoxy-1-(oxolan-2-yl)hexan-3-amine

C12H25NO2 — CID 105156946

IUPAC6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
SMILESCCOCCCC(N)CCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-2-14-9-3-5-11(13)7-8-12-6-4-10-15-12/h11-12H,2-10,13H2,1H3
InChIKeyZMFNQKLZGWXTCZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.09
Rot. Bonds8

About 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine

6-ethoxy-1-(oxolan-2-yl)hexan-3-amine (PubChem CID 105156946) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
PubChem CID105156946
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
SMILESCCOCCCC(N)CCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-2-14-9-3-5-11(13)7-8-12-6-4-10-15-12/h11-12H,2-10,13H2,1H3
InChIKeyZMFNQKLZGWXTCZ-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(oxan-2-yl)nonan-3-amine
CID 115833397
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine (CID 105156946) is 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine is CCOCCCC(N)CCC1CCCO1.
What is the InChIKey of 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine?
The InChIKey is ZMFNQKLZGWXTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-2-14-9-3-5-11(13)7-8-12-6-4-10-15-12/h11-12H,2-10,13H2,1H3.
What are the key properties of 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine?
6-ethoxy-1-(oxolan-2-yl)hexan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 105156946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).