3-ethyl-3-(oxan-4-yl)pentan-1-amine

C12H25NO — CID 83819180

IUPAC3-ethyl-3-(oxan-4-yl)pentan-1-amine
SMILESCCC(CC)(CCN)C1CCOCC1
InChIInChI=1S/C12H25NO/c1-3-12(4-2,7-8-13)11-5-9-14-10-6-11/h11H,3-10,13H2,1-2H3
InChIKeyYYHGWPXXSFOKRR-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds5

About 3-ethyl-3-(oxan-4-yl)pentan-1-amine

3-ethyl-3-(oxan-4-yl)pentan-1-amine (PubChem CID 83819180) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethyl-3-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-(oxan-4-yl)pentan-1-amine
PubChem CID83819180
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethyl-3-(oxan-4-yl)pentan-1-amine
SMILESCCC(CC)(CCN)C1CCOCC1
InChIInChI=1S/C12H25NO/c1-3-12(4-2,7-8-13)11-5-9-14-10-6-11/h11H,3-10,13H2,1-2H3
InChIKeyYYHGWPXXSFOKRR-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxan-4-yl)butan-2-amine
CID 63936671
4-(2-methylbutan-2-yl)oxane
CID 91527752
3-ethylpentan-3-ylcyclopropane
CID 91066295
3,3-difluoro-3-(oxolan-3-yl)propan-1-amine
CID 105432611
4-(2-methylpentan-2-yl)oxane
CID 129015452
2-(oxolan-3-yl)butane-1,2-diamine
CID 130503517
2,2-dimethyl-1-(oxan-4-yl)butane-1,4-diamine
CID 116934553
2-methyl-2-(oxan-4-yl)butanenitrile
CID 90137842
3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 115134884
(3R)-3-hydroxy-3-(oxan-4-yl)butanal
CID 97030759
2-(oxan-4-yl)propane-2-sulfonamide
CID 70819579
4-amino-3-methyl-2-(oxan-4-yl)butan-2-ol
CID 105442753

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(oxan-4-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-3-(oxan-4-yl)pentan-1-amine (CID 83819180) is 3-ethyl-3-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-3-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-3-(oxan-4-yl)pentan-1-amine is CCC(CC)(CCN)C1CCOCC1.
What is the InChIKey of 3-ethyl-3-(oxan-4-yl)pentan-1-amine?
The InChIKey is YYHGWPXXSFOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-12(4-2,7-8-13)11-5-9-14-10-6-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 3-ethyl-3-(oxan-4-yl)pentan-1-amine?
3-ethyl-3-(oxan-4-yl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 83819180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).