N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine

C17H33NO2 — CID 62384259

IUPACN-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(OCC2CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-5-14-6-7-16(18-4-2)17(12-14)20-13-15-8-10-19-11-9-15/h14-18H,3-13H2,1-2H3
InChIKeyUNXZSYZPXPXXOU-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds7

About N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine

N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine (PubChem CID 62384259) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
PubChem CID62384259
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC NameN-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(OCC2CCOCC2)C1
InChIInChI=1S/C17H33NO2/c1-3-5-14-6-7-16(18-4-2)17(12-14)20-13-15-8-10-19-11-9-15/h14-18H,3-13H2,1-2H3
InChIKeyUNXZSYZPXPXXOU-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
CID 62382611
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
2-(cyclohexylmethoxy)-N,4-diethylcyclohexan-1-amine
CID 63500914
N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine
CID 103283501
N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82788586
N-ethyl-2-(oxan-4-ylsulfinyl)-4-propylcyclohexan-1-amine
CID 64655043
N-ethyl-3-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 79633067
2-(cyclopentylmethoxy)-4-propylcyclohexan-1-amine
CID 66322821
2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine
CID 114157425
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
CID 106447149
N-methyl-2-(oxan-4-ylmethoxy)cyclopentan-1-amine
CID 62382029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine (CID 62384259) is N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine is CCCC1CCC(NCC)C(OCC2CCOCC2)C1.
What is the InChIKey of N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
The InChIKey is UNXZSYZPXPXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-5-14-6-7-16(18-4-2)17(12-14)20-13-15-8-10-19-11-9-15/h14-18H,3-13H2,1-2H3.
What are the key properties of N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine?
N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62384259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).