2-methyl-2-(methylaminomethyl)octane-1,1-diol

C11H25NO2 — CID 86611073

IUPAC2-methyl-2-(methylaminomethyl)octane-1,1-diol
SMILESCCCCCCC(C)(CNC)C(O)O
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-8-11(2,9-12-3)10(13)14/h10,12-14H,4-9H2,1-3H3
InChIKeyYMZIGXGGIKTJCX-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.49
Rot. Bonds8

About 2-methyl-2-(methylaminomethyl)octane-1,1-diol

2-methyl-2-(methylaminomethyl)octane-1,1-diol (PubChem CID 86611073) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methyl-2-(methylaminomethyl)octane-1,1-diol.

Molecular Properties

Compound Name2-methyl-2-(methylaminomethyl)octane-1,1-diol
PubChem CID86611073
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-methyl-2-(methylaminomethyl)octane-1,1-diol
SMILESCCCCCCC(C)(CNC)C(O)O
InChIInChI=1S/C11H25NO2/c1-4-5-6-7-8-11(2,9-12-3)10(13)14/h10,12-14H,4-9H2,1-3H3
InChIKeyYMZIGXGGIKTJCX-UHFFFAOYSA-N
XLogP1.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-2-propan-2-yloctan-1-amine
CID 83159293
2-methyl-1-(methylamino)undecan-2-ol
CID 66039125
2-methyl-2-pentylpropane-1,1,3-triol
CID 19814201
N,2,2-trimethyloctan-1-amine
CID 62723717
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
3-methyl-3-propyloctan-2-ol
CID 20501793
2-chloro-2-methyldecane-1,1-diol
CID 88640854
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
N-tert-butyl-2-methyl-2-propan-2-yldecan-1-amine
CID 83151435
4,6-diethyl-N,4,6-trimethyldodecan-5-amine
CID 91364063
6-methyl-6-propan-2-ylundecane
CID 87930599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylaminomethyl)octane-1,1-diol?
The IUPAC name of 2-methyl-2-(methylaminomethyl)octane-1,1-diol (CID 86611073) is 2-methyl-2-(methylaminomethyl)octane-1,1-diol.
What is the SMILES notation for 2-methyl-2-(methylaminomethyl)octane-1,1-diol?
The canonical SMILES for 2-methyl-2-(methylaminomethyl)octane-1,1-diol is CCCCCCC(C)(CNC)C(O)O.
What is the InChIKey of 2-methyl-2-(methylaminomethyl)octane-1,1-diol?
The InChIKey is YMZIGXGGIKTJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-5-6-7-8-11(2,9-12-3)10(13)14/h10,12-14H,4-9H2,1-3H3.
What are the key properties of 2-methyl-2-(methylaminomethyl)octane-1,1-diol?
2-methyl-2-(methylaminomethyl)octane-1,1-diol has a molecular weight of 203.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylaminomethyl)octane-1,1-diol is sourced from PubChem (CID 86611073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).