2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine

C16H33NO — CID 64533810

IUPAC2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCCC(CC)C1)C(C)OCC
InChIInChI=1S/C16H33NO/c1-5-11-17-16(13(4)18-7-3)15-10-8-9-14(6-2)12-15/h13-17H,5-12H2,1-4H3
InChIKeyNBUCFTRCHPUQFX-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine

2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine (PubChem CID 64533810) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
PubChem CID64533810
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine
SMILESCCCNC(C1CCCC(CC)C1)C(C)OCC
InChIInChI=1S/C16H33NO/c1-5-11-17-16(13(4)18-7-3)15-10-8-9-14(6-2)12-15/h13-17H,5-12H2,1-4H3
InChIKeyNBUCFTRCHPUQFX-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-diethoxy-1-(3-ethylcyclohexyl)ethyl]propan-1-amine
CID 79495323
2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
CID 107136389
1-(3-ethylcyclopentyl)-2-methyl-N-propylpentan-1-amine
CID 114013790
1-(3-ethylcyclohexyl)-4-methoxy-N-propylpentan-1-amine
CID 105156081
2-ethoxy-1-(3-methylcyclohexyl)-N-propylpentan-1-amine
CID 116718254
N-[1-(3-ethylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105156181
[2-ethoxy-1-(3-ethylcyclohexyl)-3,3-dimethylbutyl]hydrazine
CID 105273762
N',N'-diethyl-1-(3-ethylcyclohexyl)-N-propylpropane-1,3-diamine
CID 79093322
1-(3-ethylcyclohexyl)-3-methyl-N-propylbut-2-en-1-amine
CID 79177299
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
1-[(3-ethylcyclohexyl)-(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058669

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine?
The IUPAC name of 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine (CID 64533810) is 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine is CCCNC(C1CCCC(CC)C1)C(C)OCC.
What is the InChIKey of 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine?
The InChIKey is NBUCFTRCHPUQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-11-17-16(13(4)18-7-3)15-10-8-9-14(6-2)12-15/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine?
2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-ethylcyclohexyl)-N-propylpropan-1-amine is sourced from PubChem (CID 64533810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).