N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine

C14H27NO2 — CID 65331651

IUPACN-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCCOC1
InChIInChI=1S/C14H27NO2/c1-2-15-14(12-5-3-9-16-11-12)8-7-13-6-4-10-17-13/h12-15H,2-11H2,1H3
InChIKeyFGEQCOFQDLJJNX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds6

About N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 65331651) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID65331651
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCCOC1
InChIInChI=1S/C14H27NO2/c1-2-15-14(12-5-3-9-16-11-12)8-7-13-6-4-10-17-13/h12-15H,2-11H2,1H3
InChIKeyFGEQCOFQDLJJNX-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Pyrrolidin-2-yl)oxan-4-ol
CID 79559823
4-Methyl-3-(pyrrolidin-2-yl)oxan-4-ol
CID 119031215
(2R)-2-[(1R)-1-fluoro-1-(oxan-4-yl)ethyl]pyrrolidine
CID 178086418
4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine
CID 103025141
N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 103028542
3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028610
N-ethyl-3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028611
3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
CID 103028612
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028613
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028615
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028616
N-ethyl-4-methoxy-4-methyl-1-(oxan-4-yl)pentan-1-amine
CID 103031101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine (CID 65331651) is N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)C1CCCOC1.
What is the InChIKey of N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is FGEQCOFQDLJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-15-14(12-5-3-9-16-11-12)8-7-13-6-4-10-17-13/h12-15H,2-11H2,1H3.
What are the key properties of N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-3-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 65331651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).