2-methoxy-2-methyldodecan-5-amine

C14H31NO — CID 103032303

IUPAC2-methoxy-2-methyldodecan-5-amine
SMILESCCCCCCCC(N)CCC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-5-6-7-8-9-10-13(15)11-12-14(2,3)16-4/h13H,5-12,15H2,1-4H3
InChIKeyINYSLOVXGRKEIJ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds10

About 2-methoxy-2-methyldodecan-5-amine

2-methoxy-2-methyldodecan-5-amine (PubChem CID 103032303) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methoxy-2-methyldodecan-5-amine.

Molecular Properties

Compound Name2-methoxy-2-methyldodecan-5-amine
PubChem CID103032303
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methoxy-2-methyldodecan-5-amine
SMILESCCCCCCCC(N)CCC(C)(C)OC
InChIInChI=1S/C14H31NO/c1-5-6-7-8-9-10-13(15)11-12-14(2,3)16-4/h13H,5-12,15H2,1-4H3
InChIKeyINYSLOVXGRKEIJ-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.88
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-methyldodecan-5-amine?
The IUPAC name of 2-methoxy-2-methyldodecan-5-amine (CID 103032303) is 2-methoxy-2-methyldodecan-5-amine.
What is the SMILES notation for 2-methoxy-2-methyldodecan-5-amine?
The canonical SMILES for 2-methoxy-2-methyldodecan-5-amine is CCCCCCCC(N)CCC(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyldodecan-5-amine?
The InChIKey is INYSLOVXGRKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-6-7-8-9-10-13(15)11-12-14(2,3)16-4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-methoxy-2-methyldodecan-5-amine?
2-methoxy-2-methyldodecan-5-amine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyldodecan-5-amine is sourced from PubChem (CID 103032303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).