6-(4-methoxybutan-2-ylamino)hexan-3-ol

C11H25NO2 — CID 115891785

IUPAC6-(4-methoxybutan-2-ylamino)hexan-3-ol
SMILESCCC(O)CCCNC(C)CCOC
InChIInChI=1S/C11H25NO2/c1-4-11(13)6-5-8-12-10(2)7-9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyYQUXTTKBOAMANR-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds9

About 6-(4-methoxybutan-2-ylamino)hexan-3-ol

6-(4-methoxybutan-2-ylamino)hexan-3-ol (PubChem CID 115891785) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 6-(4-methoxybutan-2-ylamino)hexan-3-ol.

Molecular Properties

Compound Name6-(4-methoxybutan-2-ylamino)hexan-3-ol
PubChem CID115891785
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name6-(4-methoxybutan-2-ylamino)hexan-3-ol
SMILESCCC(O)CCCNC(C)CCOC
InChIInChI=1S/C11H25NO2/c1-4-11(13)6-5-8-12-10(2)7-9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyYQUXTTKBOAMANR-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
5-iodo-N-(4-methoxybutan-2-yl)pentan-1-amine
CID 107320059
N',N'-diethyl-N-(4-methoxybutan-2-yl)butane-1,4-diamine
CID 115714050
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
N-(3-methoxypropyl)-5-methylhexan-2-amine
CID 43205131
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
N-ethyl-3-(4-methoxybutan-2-ylamino)propanamide
CID 64603036
N-(2-methoxyethyl)butan-2-amine
CID 43190188
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
1-(4-methoxybutan-2-ylamino)-3-octoxypropan-2-ol
CID 64603424

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxybutan-2-ylamino)hexan-3-ol?
The IUPAC name of 6-(4-methoxybutan-2-ylamino)hexan-3-ol (CID 115891785) is 6-(4-methoxybutan-2-ylamino)hexan-3-ol.
What is the SMILES notation for 6-(4-methoxybutan-2-ylamino)hexan-3-ol?
The canonical SMILES for 6-(4-methoxybutan-2-ylamino)hexan-3-ol is CCC(O)CCCNC(C)CCOC.
What is the InChIKey of 6-(4-methoxybutan-2-ylamino)hexan-3-ol?
The InChIKey is YQUXTTKBOAMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-11(13)6-5-8-12-10(2)7-9-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 6-(4-methoxybutan-2-ylamino)hexan-3-ol?
6-(4-methoxybutan-2-ylamino)hexan-3-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybutan-2-ylamino)hexan-3-ol is sourced from PubChem (CID 115891785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).