N-ethyl-2-methoxy-2-methylnonan-3-amine

C13H29NO — CID 79196981

IUPACN-ethyl-2-methoxy-2-methylnonan-3-amine
SMILESCCCCCCC(NCC)C(C)(C)OC
InChIInChI=1S/C13H29NO/c1-6-8-9-10-11-12(14-7-2)13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyDXJSPJWTLBYSJB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds9

About N-ethyl-2-methoxy-2-methylnonan-3-amine

N-ethyl-2-methoxy-2-methylnonan-3-amine (PubChem CID 79196981) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methylnonan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methylnonan-3-amine
PubChem CID79196981
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-ethyl-2-methoxy-2-methylnonan-3-amine
SMILESCCCCCCC(NCC)C(C)(C)OC
InChIInChI=1S/C13H29NO/c1-6-8-9-10-11-12(14-7-2)13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyDXJSPJWTLBYSJB-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methylnonan-3-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methylnonan-3-amine (CID 79196981) is N-ethyl-2-methoxy-2-methylnonan-3-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methylnonan-3-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methylnonan-3-amine is CCCCCCC(NCC)C(C)(C)OC.
What is the InChIKey of N-ethyl-2-methoxy-2-methylnonan-3-amine?
The InChIKey is DXJSPJWTLBYSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-8-9-10-11-12(14-7-2)13(3,4)15-5/h12,14H,6-11H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-2-methylnonan-3-amine?
N-ethyl-2-methoxy-2-methylnonan-3-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-2-methylnonan-3-amine is sourced from PubChem (CID 79196981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).