2-methoxy-2-methylnonan-4-amine

C11H25NO — CID 103025060

IUPAC2-methoxy-2-methylnonan-4-amine
SMILESCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-5-6-7-8-10(12)9-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeyNEDZJDATMWEGKJ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.71
Rot. Bonds7

About 2-methoxy-2-methylnonan-4-amine

2-methoxy-2-methylnonan-4-amine (PubChem CID 103025060) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-methoxy-2-methylnonan-4-amine.

Molecular Properties

Compound Name2-methoxy-2-methylnonan-4-amine
PubChem CID103025060
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-methoxy-2-methylnonan-4-amine
SMILESCCCCCC(N)CC(C)(C)OC
InChIInChI=1S/C11H25NO/c1-5-6-7-8-10(12)9-11(2,3)13-4/h10H,5-9,12H2,1-4H3
InChIKeyNEDZJDATMWEGKJ-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.71
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-2-methylnonan-4-amine?
The IUPAC name of 2-methoxy-2-methylnonan-4-amine (CID 103025060) is 2-methoxy-2-methylnonan-4-amine.
What is the SMILES notation for 2-methoxy-2-methylnonan-4-amine?
The canonical SMILES for 2-methoxy-2-methylnonan-4-amine is CCCCCC(N)CC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylnonan-4-amine?
The InChIKey is NEDZJDATMWEGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-6-7-8-10(12)9-11(2,3)13-4/h10H,5-9,12H2,1-4H3.
What are the key properties of 2-methoxy-2-methylnonan-4-amine?
2-methoxy-2-methylnonan-4-amine has a molecular weight of 187.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylnonan-4-amine is sourced from PubChem (CID 103025060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).