N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine

C15H31NO2 — CID 103035952

IUPACN-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(C)CCCCO1
InChIInChI=1S/C15H31NO2/c1-6-16-13(9-11-14(2,3)17-5)15(4)10-7-8-12-18-15/h13,16H,6-12H2,1-5H3
InChIKeyOIXUWEVCQVMXID-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.13
Rot. Bonds7

About N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine

N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine (PubChem CID 103035952) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
PubChem CID103035952
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine
SMILESCCNC(CCC(C)(C)OC)C1(C)CCCCO1
InChIInChI=1S/C15H31NO2/c1-6-16-13(9-11-14(2,3)17-5)15(4)10-7-8-12-18-15/h13,16H,6-12H2,1-5H3
InChIKeyOIXUWEVCQVMXID-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine (CID 103035952) is N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine is CCNC(CCC(C)(C)OC)C1(C)CCCCO1.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
The InChIKey is OIXUWEVCQVMXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-16-13(9-11-14(2,3)17-5)15(4)10-7-8-12-18-15/h13,16H,6-12H2,1-5H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine?
N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-4-methyl-1-(2-methyloxan-2-yl)pentan-1-amine is sourced from PubChem (CID 103035952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).