2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol

C16H35N3O3 — CID 118891624

IUPAC2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol
SMILESCN(CCO)CCOCCOCCN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3O3/c1-17(7-8-19-5-3-4-6-19)10-13-21-15-16-22-14-11-18(2)9-12-20/h20H,3-16H2,1-2H3
InChIKeyYESLLSHDLFHSAU-UHFFFAOYSA-N
MW317.47 g/mol
LogP-0.03
Rot. Bonds14

About 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol

2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol (PubChem CID 118891624) has the molecular formula C16H35N3O3 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol
PubChem CID118891624
Molecular FormulaC16H35N3O3
Molecular Weight317.47 g/mol
Exact Mass317.27
IUPAC Name2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol
SMILESCN(CCO)CCOCCOCCN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3O3/c1-17(7-8-19-5-3-4-6-19)10-13-21-15-16-22-14-11-18(2)9-12-20/h20H,3-16H2,1-2H3
InChIKeyYESLLSHDLFHSAU-UHFFFAOYSA-N
XLogP-0.03
TPSA48.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethoxy]ethanol
CID 118891601
2-[2-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethoxy]ethoxy]ethanol
CID 118891602
N,N'-dimethyl-N'-[2-[methyl-[2-(2-pyrrolidin-1-ylethoxy)ethyl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 118891655
2-[2-hydroxyethyl-[2-[methyl(2-piperidin-1-ylethyl)amino]ethyl]amino]ethanol
CID 139832270
N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
CID 118889595
N-methyl-N-[2-(2-piperidin-1-ylethoxy)ethyl]butan-1-amine
CID 172611817
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
N-[2-[4-[2-[2-[2-[2-(4-hexylpiperazin-1-yl)ethoxy]ethyl-methylamino]ethoxy]ethyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
CID 167593600
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
CID 122495081

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol (CID 118891624) is 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol is CN(CCO)CCOCCOCCN(C)CCN1CCCC1.
What is the InChIKey of 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol?
The InChIKey is YESLLSHDLFHSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O3/c1-17(7-8-19-5-3-4-6-19)10-13-21-15-16-22-14-11-18(2)9-12-20/h20H,3-16H2,1-2H3.
What are the key properties of 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol?
2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol has a molecular weight of 317.47 g/mol, XLogP of -0.03, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethoxy]ethoxy]ethyl]amino]ethanol is sourced from PubChem (CID 118891624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).