4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine

C13H29NO2 — CID 103028530

IUPAC4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine
SMILESCCCNC(COCCC)CC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-6-8-14-12(11-16-9-7-2)10-13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyRBRQUDWFRHHVEO-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds10

About 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine

4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine (PubChem CID 103028530) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine
PubChem CID103028530
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine
SMILESCCCNC(COCCC)CC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-6-8-14-12(11-16-9-7-2)10-13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyRBRQUDWFRHHVEO-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine (CID 103028530) is 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine is CCCNC(COCCC)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine?
The InChIKey is RBRQUDWFRHHVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-8-14-12(11-16-9-7-2)10-13(3,4)15-5/h12,14H,6-11H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine?
4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-propoxy-N-propylpentan-2-amine is sourced from PubChem (CID 103028530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).