1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol

C11H25NO2 — CID 115719382

IUPAC1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC(COC)C(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-10(13)7-12-11(8-14-4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyJLDFONXVCIRITD-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds8

About 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol

1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol (PubChem CID 115719382) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
PubChem CID115719382
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNC(COC)C(C)C
InChIInChI=1S/C11H25NO2/c1-5-6-10(13)7-12-11(8-14-4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyJLDFONXVCIRITD-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[(1-methoxy-3-methylbutan-2-yl)amino]butanoic acid
CID 103254061
1-[(5-amino-1-methoxypentan-2-yl)amino]pentan-2-ol
CID 103391070
(2S)-2-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutan-1-ol
CID 79249235
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
3-(1-methoxypentan-2-ylamino)propane-1,2-diol
CID 77035883
1-(3-methoxybutan-2-ylamino)pentan-2-ol
CID 115719384
1-butoxy-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 107262665
1-(butan-2-ylamino)pentan-2-ol
CID 21435603
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
1-(dimethylamino)-3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-2-ol
CID 115718065
methyl 2-bromo-3-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 103254031
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol (CID 115719382) is 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol is CCCC(O)CNC(COC)C(C)C.
What is the InChIKey of 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol?
The InChIKey is JLDFONXVCIRITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-6-10(13)7-12-11(8-14-4)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol?
1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxy-3-methylbutan-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 115719382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).