[4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine

C15H31NO2 — CID 103032502

IUPAC[4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCCC(C)(C)OC)CC1
InChIInChI=1S/C15H31NO2/c1-5-13-6-8-15(12-16,9-7-13)18-11-10-14(2,3)17-4/h13H,5-12,16H2,1-4H3
InChIKeyJRJSMKYAPDHZSM-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.12
Rot. Bonds7

About [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine

[4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine (PubChem CID 103032502) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine
PubChem CID103032502
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)(OCCC(C)(C)OC)CC1
InChIInChI=1S/C15H31NO2/c1-5-13-6-8-15(12-16,9-7-13)18-11-10-14(2,3)17-4/h13H,5-12,16H2,1-4H3
InChIKeyJRJSMKYAPDHZSM-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine (CID 103032502) is [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine is CCC1CCC(CN)(OCCC(C)(C)OC)CC1.
What is the InChIKey of [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine?
The InChIKey is JRJSMKYAPDHZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-13-6-8-15(12-16,9-7-13)18-11-10-14(2,3)17-4/h13H,5-12,16H2,1-4H3.
What are the key properties of [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine?
[4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-(3-methoxy-3-methylbutoxy)cyclohexyl]methanamine is sourced from PubChem (CID 103032502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).