N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine

C15H31NO2 — CID 116765070

IUPACN-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO2/c1-5-16-14(8-6-7-13(2)3)15(17-4)9-11-18-12-10-15/h13-14,16H,5-12H2,1-4H3
InChIKeyJKRGOPGUQUYOHM-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds8

About N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine

N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine (PubChem CID 116765070) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
PubChem CID116765070
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
SMILESCCNC(CCCC(C)C)C1(OC)CCOCC1
InChIInChI=1S/C15H31NO2/c1-5-16-14(8-6-7-13(2)3)15(17-4)9-11-18-12-10-15/h13-14,16H,5-12H2,1-4H3
InChIKeyJKRGOPGUQUYOHM-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine (CID 116765070) is N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine is CCNC(CCCC(C)C)C1(OC)CCOCC1.
What is the InChIKey of N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine?
The InChIKey is JKRGOPGUQUYOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-16-14(8-6-7-13(2)3)15(17-4)9-11-18-12-10-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine?
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine is sourced from PubChem (CID 116765070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).