2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol

C11H26N2O — CID 118570211

IUPAC2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol
SMILESCCCC(C)(CCNC)CNCCO
InChIInChI=1S/C11H26N2O/c1-4-5-11(2,6-7-12-3)10-13-8-9-14/h12-14H,4-10H2,1-3H3
InChIKeyDSKVEFNWSSZROX-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.98
Rot. Bonds9

About 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol

2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol (PubChem CID 118570211) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol
PubChem CID118570211
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol
SMILESCCCC(C)(CCNC)CNCCO
InChIInChI=1S/C11H26N2O/c1-4-5-11(2,6-7-12-3)10-13-8-9-14/h12-14H,4-10H2,1-3H3
InChIKeyDSKVEFNWSSZROX-UHFFFAOYSA-N
XLogP0.98
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol?
The IUPAC name of 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol (CID 118570211) is 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol.
What is the SMILES notation for 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol?
The canonical SMILES for 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol is CCCC(C)(CCNC)CNCCO.
What is the InChIKey of 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol?
The InChIKey is DSKVEFNWSSZROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-4-5-11(2,6-7-12-3)10-13-8-9-14/h12-14H,4-10H2,1-3H3.
What are the key properties of 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol?
2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol has a molecular weight of 202.34 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-2-[2-(methylamino)ethyl]pentyl]amino]ethanol is sourced from PubChem (CID 118570211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).