2-[3-methoxypropyl(pentan-3-yl)amino]ethanol

C11H25NO2 — CID 62015077

IUPAC2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)CCCOC
InChIInChI=1S/C11H25NO2/c1-4-11(5-2)12(8-9-13)7-6-10-14-3/h11,13H,4-10H2,1-3H3
InChIKeyMGJGKTXJXLUORR-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.51
Rot. Bonds9

About 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol

2-[3-methoxypropyl(pentan-3-yl)amino]ethanol (PubChem CID 62015077) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
PubChem CID62015077
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-[3-methoxypropyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(CCO)CCCOC
InChIInChI=1S/C11H25NO2/c1-4-11(5-2)12(8-9-13)7-6-10-14-3/h11,13H,4-10H2,1-3H3
InChIKeyMGJGKTXJXLUORR-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.51
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

N-(2-chloroethyl)-N-(3-methoxypropyl)pentan-3-amine
CID 63387675
2-[4-methoxybutyl(propan-2-yl)amino]ethanol
CID 115685977
2-[pentan-3-yl(9-sulfanylnonyl)amino]ethanol
CID 105344178
N-(2-chloroethyl)-N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 103413020
N'-(2-methoxyethyl)-N-(3-methoxypropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557564
N,N'-bis(2-methoxyethyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55087436
2-[hept-6-enyl(pentan-3-yl)amino]ethanol
CID 107010089
ethyl 2-[2-methoxyethyl(3-methoxypropyl)amino]butanoate
CID 64660449
N-(2-chloroethyl)-N-[2-(3-methoxypropoxy)ethyl]pentan-3-amine
CID 103183958
1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol
CID 64820477
N-cyclopentyl-N'-(2-methoxyethyl)-N'-pentan-3-ylpropane-1,3-diamine
CID 62562576
2-[(6-amino-5,5-dimethylhexyl)-pentan-3-ylamino]ethanol
CID 106708019

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol?
The IUPAC name of 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol (CID 62015077) is 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol is CCC(CC)N(CCO)CCCOC.
What is the InChIKey of 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol?
The InChIKey is MGJGKTXJXLUORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-11(5-2)12(8-9-13)7-6-10-14-3/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol?
2-[3-methoxypropyl(pentan-3-yl)amino]ethanol has a molecular weight of 203.33 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 62015077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).