4-ethyl-1-(oxolan-2-yl)octan-4-amine

C14H29NO — CID 65170406

IUPAC4-ethyl-1-(oxolan-2-yl)octan-4-amine
SMILESCCCCC(N)(CC)CCCC1CCCO1
InChIInChI=1S/C14H29NO/c1-3-5-10-14(15,4-2)11-6-8-13-9-7-12-16-13/h13H,3-12,15H2,1-2H3
InChIKeyUKMNESWSGPPBRV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.63
Rot. Bonds8

About 4-ethyl-1-(oxolan-2-yl)octan-4-amine

4-ethyl-1-(oxolan-2-yl)octan-4-amine (PubChem CID 65170406) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-ethyl-1-(oxolan-2-yl)octan-4-amine.

Molecular Properties

Compound Name4-ethyl-1-(oxolan-2-yl)octan-4-amine
PubChem CID65170406
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-ethyl-1-(oxolan-2-yl)octan-4-amine
SMILESCCCCC(N)(CC)CCCC1CCCO1
InChIInChI=1S/C14H29NO/c1-3-5-10-14(15,4-2)11-6-8-13-9-7-12-16-13/h13H,3-12,15H2,1-2H3
InChIKeyUKMNESWSGPPBRV-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.63
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
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
2-tetradecyloxolane
CID 10683364
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
2-butyloxolane;pentylcyclopentane
CID 143579314
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
2-hexyloxolane;oxolane
CID 173130151
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(oxolan-2-yl)octan-4-amine?
The IUPAC name of 4-ethyl-1-(oxolan-2-yl)octan-4-amine (CID 65170406) is 4-ethyl-1-(oxolan-2-yl)octan-4-amine.
What is the SMILES notation for 4-ethyl-1-(oxolan-2-yl)octan-4-amine?
The canonical SMILES for 4-ethyl-1-(oxolan-2-yl)octan-4-amine is CCCCC(N)(CC)CCCC1CCCO1.
What is the InChIKey of 4-ethyl-1-(oxolan-2-yl)octan-4-amine?
The InChIKey is UKMNESWSGPPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-10-14(15,4-2)11-6-8-13-9-7-12-16-13/h13H,3-12,15H2,1-2H3.
What are the key properties of 4-ethyl-1-(oxolan-2-yl)octan-4-amine?
4-ethyl-1-(oxolan-2-yl)octan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(oxolan-2-yl)octan-4-amine is sourced from PubChem (CID 65170406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).