2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol

C11H25NO2 — CID 76804431

IUPAC2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol
SMILESCCC(CO)CCCNC(CC)CO
InChIInChI=1S/C11H25NO2/c1-3-10(8-13)6-5-7-12-11(4-2)9-14/h10-14H,3-9H2,1-2H3
InChIKeyBTYLBRUDSZZINH-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.15
Rot. Bonds9

About 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol

2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol (PubChem CID 76804431) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol
PubChem CID76804431
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol
SMILESCCC(CO)CCCNC(CC)CO
InChIInChI=1S/C11H25NO2/c1-3-10(8-13)6-5-7-12-11(4-2)9-14/h10-14H,3-9H2,1-2H3
InChIKeyBTYLBRUDSZZINH-UHFFFAOYSA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-Hydroxyethylamino)-2-methylheptan-2-ol
CID 2855227
t-Butylleucinol
CID 59118614
(s)-N-dodecyl leucinol
CID 129847200
3-Methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61965064
2-(2-Fluoroethylamino)-4-methylpentan-1-ol
CID 80694517
2-(3-Fluoropropylamino)-4-methylpentan-1-ol
CID 81107305
4-Methyl-2-(6,6,6-trifluorohexan-2-ylamino)pentan-1-ol
CID 113533790
2-Methyl-5-(6,6,6-trifluorohexan-2-ylamino)pentan-1-ol
CID 113586426
(2S)-2-(2,2-dimethylpropylamino)-4-methylpentan-1-ol
CID 93675820
2-Ethyl-2-(ethylamino)pentan-1-ol
CID 108420712
2-(Cyclohexylamino)-3-methylbutan-1-ol
CID 14387474
(2S)-2-(cyclohexylamino)-3-methylbutan-1-ol
CID 14387475

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol (CID 76804431) is 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol is CCC(CO)CCCNC(CC)CO.
What is the InChIKey of 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol?
The InChIKey is BTYLBRUDSZZINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-3-10(8-13)6-5-7-12-11(4-2)9-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol?
2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-hydroxybutan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 76804431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).