1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol

C11H25NO2 — CID 115723500

IUPAC1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol
SMILESCOC(C)C(C)NCCC(O)C(C)C
InChIInChI=1S/C11H25NO2/c1-8(2)11(13)6-7-12-9(3)10(4)14-5/h8-13H,6-7H2,1-5H3
InChIKeyIPRWHLSTPZXKTB-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds7

About 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol

1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol (PubChem CID 115723500) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol
PubChem CID115723500
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol
SMILESCOC(C)C(C)NCCC(O)C(C)C
InChIInChI=1S/C11H25NO2/c1-8(2)11(13)6-7-12-9(3)10(4)14-5/h8-13H,6-7H2,1-5H3
InChIKeyIPRWHLSTPZXKTB-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-(3-methoxybutan-2-yl)-7-methyloctan-1-amine
CID 115705131
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
1-(3-methoxybutan-2-ylamino)pentan-2-ol
CID 115719384
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine
CID 115720796
1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
CID 115718655
4-methyl-1-(octan-2-ylamino)pentan-3-ol
CID 115723509
N-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563
N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 115706423
N-[2-(azepan-1-yl)ethyl]-3-methoxybutan-2-amine
CID 115708434
2-(3-methoxybutan-2-ylamino)-N-methylacetamide
CID 115706830

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol?
The IUPAC name of 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol (CID 115723500) is 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol?
The canonical SMILES for 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol is COC(C)C(C)NCCC(O)C(C)C.
What is the InChIKey of 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol?
The InChIKey is IPRWHLSTPZXKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-8(2)11(13)6-7-12-9(3)10(4)14-5/h8-13H,6-7H2,1-5H3.
What are the key properties of 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol?
1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol is sourced from PubChem (CID 115723500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).