1-[1-hydroxypentyl(methyl)amino]pentan-1-ol

C11H25NO2 — CID 87112081

IUPAC1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
SMILESCCCCC(O)N(C)C(O)CCCC
InChIInChI=1S/C11H25NO2/c1-4-6-8-10(13)12(3)11(14)9-7-5-2/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGDBRWPZTURWWJJ-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.94
Rot. Bonds8

About 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol

1-[1-hydroxypentyl(methyl)amino]pentan-1-ol (PubChem CID 87112081) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
PubChem CID87112081
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
SMILESCCCCC(O)N(C)C(O)CCCC
InChIInChI=1S/C11H25NO2/c1-4-6-8-10(13)12(3)11(14)9-7-5-2/h10-11,13-14H,4-9H2,1-3H3
InChIKeyGDBRWPZTURWWJJ-UHFFFAOYSA-N
XLogP1.94
TPSA43.70 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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
CID 57193649
1-[methyl(octan-4-yl)amino]butan-1-ol
CID 88539765
1-(dimethylamino)pentadecan-1-ol
CID 87151804
1-[butan-2-yl(methyl)amino]butan-1-ol
CID 88539687
1-[[bis(1-hydroxyheptyl)amino]-(1-hydroxyoctyl)amino]octan-1-ol
CID 87743534
methanol;1-phosphanylpentan-1-ol
CID 89485720
1-(dibutylamino)butan-1-ol
CID 19802147
CID 172720711
CID 172720711
CID 172776718
CID 172776718
1-[ethyl(hydroxy)amino]heptan-1-ol
CID 174750340
N-butan-2-yl-N-methylhexan-2-amine
CID 146247078
(5R,7S)-undecane-5,7-diol
CID 10899409

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol?
The IUPAC name of 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol (CID 87112081) is 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol.
What is the SMILES notation for 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol?
The canonical SMILES for 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol is CCCCC(O)N(C)C(O)CCCC.
What is the InChIKey of 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol?
The InChIKey is GDBRWPZTURWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-6-8-10(13)12(3)11(14)9-7-5-2/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol?
1-[1-hydroxypentyl(methyl)amino]pentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxypentyl(methyl)amino]pentan-1-ol is sourced from PubChem (CID 87112081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).