4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol

C11H25NO2 — CID 115722598

IUPAC4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
SMILESCOCC(CCO)NC(C)CC(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)7-10(3)12-11(5-6-13)8-14-4/h9-13H,5-8H2,1-4H3
InChIKeyOQGHPCOIWAEMQD-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds8

About 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol

4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol (PubChem CID 115722598) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
PubChem CID115722598
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol
SMILESCOCC(CCO)NC(C)CC(C)C
InChIInChI=1S/C11H25NO2/c1-9(2)7-10(3)12-11(5-6-13)8-14-4/h9-13H,5-8H2,1-4H3
InChIKeyOQGHPCOIWAEMQD-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-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783
3-(but-3-yn-2-ylamino)-4-methoxybutan-1-ol
CID 106159690
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
3-(heptan-3-ylamino)-4-methoxybutan-1-ol
CID 115722634
3-(2-ethylbutylamino)-4-methoxybutan-1-ol
CID 115756936
(4R)-4-[[(2S)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051627
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051624
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
4-methoxy-3-(2-propan-2-yloxyethylamino)butan-1-ol
CID 106159775
N-[1-(2-methoxyethoxy)propan-2-yl]-4-methylpentan-2-amine
CID 115891973
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol?
The IUPAC name of 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol (CID 115722598) is 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol is COCC(CCO)NC(C)CC(C)C.
What is the InChIKey of 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol?
The InChIKey is OQGHPCOIWAEMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(2)7-10(3)12-11(5-6-13)8-14-4/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol?
4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-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 4-methoxy-3-(4-methylpentan-2-ylamino)butan-1-ol is sourced from PubChem (CID 115722598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).