2-methyl-2-(methylaminomethyl)undecan-1-ol

C14H31NO — CID 54202096

IUPAC2-methyl-2-(methylaminomethyl)undecan-1-ol
SMILESCCCCCCCCCC(C)(CO)CNC
InChIInChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-14(2,13-16)12-15-3/h15-16H,4-13H2,1-3H3
InChIKeyPPZAOHTVBUCRIL-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.35
Rot. Bonds11

About 2-methyl-2-(methylaminomethyl)undecan-1-ol

2-methyl-2-(methylaminomethyl)undecan-1-ol (PubChem CID 54202096) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methyl-2-(methylaminomethyl)undecan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylaminomethyl)undecan-1-ol
PubChem CID54202096
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methyl-2-(methylaminomethyl)undecan-1-ol
SMILESCCCCCCCCCC(C)(CO)CNC
InChIInChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-14(2,13-16)12-15-3/h15-16H,4-13H2,1-3H3
InChIKeyPPZAOHTVBUCRIL-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2-(methylaminomethyl)undecan-1-ol?
The IUPAC name of 2-methyl-2-(methylaminomethyl)undecan-1-ol (CID 54202096) is 2-methyl-2-(methylaminomethyl)undecan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylaminomethyl)undecan-1-ol?
The canonical SMILES for 2-methyl-2-(methylaminomethyl)undecan-1-ol is CCCCCCCCCC(C)(CO)CNC.
What is the InChIKey of 2-methyl-2-(methylaminomethyl)undecan-1-ol?
The InChIKey is PPZAOHTVBUCRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-14(2,13-16)12-15-3/h15-16H,4-13H2,1-3H3.
What are the key properties of 2-methyl-2-(methylaminomethyl)undecan-1-ol?
2-methyl-2-(methylaminomethyl)undecan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylaminomethyl)undecan-1-ol is sourced from PubChem (CID 54202096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).