N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine

C12H25NO2 — CID 103489367

IUPACN-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine
SMILESCCOCC(C)OCC(C)CNC1CC1
InChIInChI=1S/C12H25NO2/c1-4-14-9-11(3)15-8-10(2)7-13-12-5-6-12/h10-13H,4-9H2,1-3H3
InChIKeyXMDDZFIXYRWPCA-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds9

About N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine

N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine (PubChem CID 103489367) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine
PubChem CID103489367
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine
SMILESCCOCC(C)OCC(C)CNC1CC1
InChIInChI=1S/C12H25NO2/c1-4-14-9-11(3)15-8-10(2)7-13-12-5-6-12/h10-13H,4-9H2,1-3H3
InChIKeyXMDDZFIXYRWPCA-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-ethoxypropan-2-yloxy)-3-methoxypropyl]cyclopropanamine
CID 103490509
N-[2-methyl-3-(2-methylpentoxy)propyl]cyclopropanamine
CID 103284483
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine
CID 103984909
1-ethoxypropan-2-yl 2-(cyclopropylamino)acetate
CID 103488994
N-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropyl]cyclopropanamine
CID 103075099
N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine
CID 103074881
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
(2R)-1,2-diethoxypropane
CID 92973991
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine (CID 103489367) is N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine is CCOCC(C)OCC(C)CNC1CC1.
What is the InChIKey of N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine?
The InChIKey is XMDDZFIXYRWPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-14-9-11(3)15-8-10(2)7-13-12-5-6-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine?
N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 103489367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).