1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine

C11H25NO2 — CID 115694532

IUPAC1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine
SMILESCOCCC(NC(C)COC)C(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)11(6-7-13-4)12-10(3)8-14-5/h9-12H,6-8H2,1-5H3
InChIKeyBYEPOPQVCRSJIE-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.67
Rot. Bonds8

About 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine

1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine (PubChem CID 115694532) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine
PubChem CID115694532
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine
SMILESCOCCC(NC(C)COC)C(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)11(6-7-13-4)12-10(3)8-14-5/h9-12H,6-8H2,1-5H3
InChIKeyBYEPOPQVCRSJIE-UHFFFAOYSA-N
XLogP1.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
1-bromo-N-(4-methoxybutan-2-yl)-3-methylbutan-2-amine
CID 107859084
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
1-methoxy-3-methyl-N-(1-methylsulfanylpropan-2-yl)butan-2-amine
CID 115721836
N-(1-methoxy-4-methylpentan-3-yl)propanamide
CID 163271813
(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
CID 103789156
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
N-(1-methoxypropan-2-yl)hex-1-yn-3-amine
CID 103520528
N-(1-methoxypropan-2-yl)-4-methylsulfanylbutan-2-amine
CID 115663828
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
CID 115891937

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine?
The IUPAC name of 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine (CID 115694532) is 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine.
What is the SMILES notation for 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine?
The canonical SMILES for 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine is COCCC(NC(C)COC)C(C)C.
What is the InChIKey of 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine?
The InChIKey is BYEPOPQVCRSJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)11(6-7-13-4)12-10(3)8-14-5/h9-12H,6-8H2,1-5H3.
What are the key properties of 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine?
1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine has a molecular weight of 203.33 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(1-methoxypropan-2-yl)-4-methylpentan-3-amine is sourced from PubChem (CID 115694532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).