1,4-dimethoxy-4-methylpentan-2-amine

C8H19NO2 — CID 103028532

IUPAC1,4-dimethoxy-4-methylpentan-2-amine
SMILESCOCC(N)CC(C)(C)OC
InChIInChI=1S/C8H19NO2/c1-8(2,11-4)5-7(9)6-10-3/h7H,5-6,9H2,1-4H3
InChIKeyJJRKHDTVLYJOGP-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.78
Rot. Bonds5

About 1,4-dimethoxy-4-methylpentan-2-amine

1,4-dimethoxy-4-methylpentan-2-amine (PubChem CID 103028532) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1,4-dimethoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1,4-dimethoxy-4-methylpentan-2-amine
PubChem CID103028532
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1,4-dimethoxy-4-methylpentan-2-amine
SMILESCOCC(N)CC(C)(C)OC
InChIInChI=1S/C8H19NO2/c1-8(2,11-4)5-7(9)6-10-3/h7H,5-6,9H2,1-4H3
InChIKeyJJRKHDTVLYJOGP-UHFFFAOYSA-N
XLogP0.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-4-methylpentan-2-amine?
The IUPAC name of 1,4-dimethoxy-4-methylpentan-2-amine (CID 103028532) is 1,4-dimethoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1,4-dimethoxy-4-methylpentan-2-amine?
The canonical SMILES for 1,4-dimethoxy-4-methylpentan-2-amine is COCC(N)CC(C)(C)OC.
What is the InChIKey of 1,4-dimethoxy-4-methylpentan-2-amine?
The InChIKey is JJRKHDTVLYJOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2,11-4)5-7(9)6-10-3/h7H,5-6,9H2,1-4H3.
What are the key properties of 1,4-dimethoxy-4-methylpentan-2-amine?
1,4-dimethoxy-4-methylpentan-2-amine has a molecular weight of 161.24 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103028532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).