2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol

C12H25NO2 — CID 177021563

IUPAC2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol
SMILESCCC(CO)N(CC)CC1(COC)CC1
InChIInChI=1S/C12H25NO2/c1-4-11(8-14)13(5-2)9-12(6-7-12)10-15-3/h11,14H,4-10H2,1-3H3
InChIKeyITKLEOJYHFENLS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds8

About 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol

2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol (PubChem CID 177021563) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol
PubChem CID177021563
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol
SMILESCCC(CO)N(CC)CC1(COC)CC1
InChIInChI=1S/C12H25NO2/c1-4-11(8-14)13(5-2)9-12(6-7-12)10-15-3/h11,14H,4-10H2,1-3H3
InChIKeyITKLEOJYHFENLS-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methoxy-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
CID 170601924
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
ethane;N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfanylethanamine
CID 176568579
2-[bis(but-2-enyl)amino]butan-1-ol
CID 139612160
1-[[2-methoxyethyl(pentan-3-yl)amino]methyl]cyclopentan-1-ol
CID 65212569
[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
CID 79490750
N-ethyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]oxolan-3-amine
CID 176568568
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 62390646
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79483320
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine
CID 155793897

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol?
The IUPAC name of 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol (CID 177021563) is 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol.
What is the SMILES notation for 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol?
The canonical SMILES for 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol is CCC(CO)N(CC)CC1(COC)CC1.
What is the InChIKey of 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol?
The InChIKey is ITKLEOJYHFENLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-11(8-14)13(5-2)9-12(6-7-12)10-15-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol?
2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[1-(methoxymethyl)cyclopropyl]methyl]amino]butan-1-ol is sourced from PubChem (CID 177021563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).