4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine

C14H29NO2 — CID 116726844

IUPAC4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCCNC(CCC1CCCO1)C(C)(C)OCC
InChIInChI=1S/C14H29NO2/c1-5-15-13(14(3,4)17-6-2)10-9-12-8-7-11-16-12/h12-13,15H,5-11H2,1-4H3
InChIKeyAYALCUPNXJIFFB-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.74
Rot. Bonds8

About 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine

4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine (PubChem CID 116726844) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
PubChem CID116726844
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
SMILESCCNC(CCC1CCCO1)C(C)(C)OCC
InChIInChI=1S/C14H29NO2/c1-5-15-13(14(3,4)17-6-2)10-9-12-8-7-11-16-12/h12-13,15H,5-11H2,1-4H3
InChIKeyAYALCUPNXJIFFB-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-yl]hydrazine
CID 105274041
4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 116713726
4-(azepan-1-yl)-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 79050801
N-ethyl-4-methyl-4-morpholin-4-yl-1-(oxolan-2-yl)pentan-3-amine
CID 79050892
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312044
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
4-N,4-N-diethyl-3-N,4-dimethyl-1-(oxolan-2-yl)hexane-3,4-diamine
CID 79069373
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]-3-(oxolan-2-yl)propan-1-amine
CID 104993519
5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
CID 116752270

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine (CID 116726844) is 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine is CCNC(CCC1CCCO1)C(C)(C)OCC.
What is the InChIKey of 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine?
The InChIKey is AYALCUPNXJIFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-15-13(14(3,4)17-6-2)10-9-12-8-7-11-16-12/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine?
4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine has a molecular weight of 243.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 116726844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).