5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol

C13H29NO2 — CID 107204197

IUPAC5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
SMILESCC(C)CCOCCN(C)CCCCCO
InChIInChI=1S/C13H29NO2/c1-13(2)7-11-16-12-9-14(3)8-5-4-6-10-15/h13,15H,4-12H2,1-3H3
InChIKeyGDASRHXPLBUTQR-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.14
Rot. Bonds11

About 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol

5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol (PubChem CID 107204197) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
PubChem CID107204197
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
SMILESCC(C)CCOCCN(C)CCCCCO
InChIInChI=1S/C13H29NO2/c1-13(2)7-11-16-12-9-14(3)8-5-4-6-10-15/h13,15H,4-12H2,1-3H3
InChIKeyGDASRHXPLBUTQR-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide
CID 61484284
ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
CID 156751317
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
6-[6-(dimethylamino)hexoxy]hexan-1-ol
CID 54275825
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835
4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[(3-chloro-2-methylpropyl)-methylamino]pentan-1-ol
CID 107203582

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol (CID 107204197) is 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol is CC(C)CCOCCN(C)CCCCCO.
What is the InChIKey of 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol?
The InChIKey is GDASRHXPLBUTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-13(2)7-11-16-12-9-14(3)8-5-4-6-10-15/h13,15H,4-12H2,1-3H3.
What are the key properties of 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol?
5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 2.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107204197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).