2-methoxy-N,2-dimethylnonan-4-amine

C12H27NO — CID 103025061

IUPAC2-methoxy-N,2-dimethylnonan-4-amine
SMILESCCCCCC(CC(C)(C)OC)NC
InChIInChI=1S/C12H27NO/c1-6-7-8-9-11(13-4)10-12(2,3)14-5/h11,13H,6-10H2,1-5H3
InChIKeyZUZZOHYWGNGUDZ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.97
Rot. Bonds8

About 2-methoxy-N,2-dimethylnonan-4-amine

2-methoxy-N,2-dimethylnonan-4-amine (PubChem CID 103025061) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methoxy-N,2-dimethylnonan-4-amine.

Molecular Properties

Compound Name2-methoxy-N,2-dimethylnonan-4-amine
PubChem CID103025061
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methoxy-N,2-dimethylnonan-4-amine
SMILESCCCCCC(CC(C)(C)OC)NC
InChIInChI=1S/C12H27NO/c1-6-7-8-9-11(13-4)10-12(2,3)14-5/h11,13H,6-10H2,1-5H3
InChIKeyZUZZOHYWGNGUDZ-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.97
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 2-methoxy-N,2-dimethylnonan-4-amine?
The IUPAC name of 2-methoxy-N,2-dimethylnonan-4-amine (CID 103025061) is 2-methoxy-N,2-dimethylnonan-4-amine.
What is the SMILES notation for 2-methoxy-N,2-dimethylnonan-4-amine?
The canonical SMILES for 2-methoxy-N,2-dimethylnonan-4-amine is CCCCCC(CC(C)(C)OC)NC.
What is the InChIKey of 2-methoxy-N,2-dimethylnonan-4-amine?
The InChIKey is ZUZZOHYWGNGUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-7-8-9-11(13-4)10-12(2,3)14-5/h11,13H,6-10H2,1-5H3.
What are the key properties of 2-methoxy-N,2-dimethylnonan-4-amine?
2-methoxy-N,2-dimethylnonan-4-amine has a molecular weight of 201.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,2-dimethylnonan-4-amine is sourced from PubChem (CID 103025061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).