2-(7-methylnonoxy)ethanamine

C12H27NO — CID 90169866

IUPAC2-(7-methylnonoxy)ethanamine
SMILESCCC(C)CCCCCCOCCN
InChIInChI=1S/C12H27NO/c1-3-12(2)8-6-4-5-7-10-14-11-9-13/h12H,3-11,13H2,1-2H3
InChIKeyUTXARZFKIGKCFR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds10

About 2-(7-methylnonoxy)ethanamine

2-(7-methylnonoxy)ethanamine (PubChem CID 90169866) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(7-methylnonoxy)ethanamine.

Molecular Properties

Compound Name2-(7-methylnonoxy)ethanamine
PubChem CID90169866
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(7-methylnonoxy)ethanamine
SMILESCCC(C)CCCCCCOCCN
InChIInChI=1S/C12H27NO/c1-3-12(2)8-6-4-5-7-10-14-11-9-13/h12H,3-11,13H2,1-2H3
InChIKeyUTXARZFKIGKCFR-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(14-methylhexadecoxy)propan-1-ol
CID 59379115
1-dodecoxydodecane;3-methylheptane
CID 174412934
2-[2-[2-[2-(8-methyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176653038
2-[2-[2-(5-methylheptoxy)ethoxy]ethoxy]ethanol
CID 176653191
[(8S)-8-methyldecyl] acetate
CID 139653084
[(14R)-14-methylhexadecyl] acetate
CID 102479954
3-(6-ethyloctoxy)propan-1-amine
CID 174834787
ethane;5-methylheptan-1-amine
CID 143088899
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
1-methoxy-2,22-dimethyltetracosane
CID 86173032
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylnonoxy)ethanamine?
The IUPAC name of 2-(7-methylnonoxy)ethanamine (CID 90169866) is 2-(7-methylnonoxy)ethanamine.
What is the SMILES notation for 2-(7-methylnonoxy)ethanamine?
The canonical SMILES for 2-(7-methylnonoxy)ethanamine is CCC(C)CCCCCCOCCN.
What is the InChIKey of 2-(7-methylnonoxy)ethanamine?
The InChIKey is UTXARZFKIGKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-12(2)8-6-4-5-7-10-14-11-9-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 2-(7-methylnonoxy)ethanamine?
2-(7-methylnonoxy)ethanamine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylnonoxy)ethanamine is sourced from PubChem (CID 90169866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).