4-methyl-4-(methylaminomethoxy)pentan-2-amine

C8H20N2O — CID 130251979

IUPAC4-methyl-4-(methylaminomethoxy)pentan-2-amine
SMILESCNCOC(C)(C)CC(C)N
InChIInChI=1S/C8H20N2O/c1-7(9)5-8(2,3)11-6-10-4/h7,10H,5-6,9H2,1-4H3
InChIKeyJOOJYWVHWNQBHQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.70
Rot. Bonds5

About 4-methyl-4-(methylaminomethoxy)pentan-2-amine

4-methyl-4-(methylaminomethoxy)pentan-2-amine (PubChem CID 130251979) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-methyl-4-(methylaminomethoxy)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-4-(methylaminomethoxy)pentan-2-amine
PubChem CID130251979
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name4-methyl-4-(methylaminomethoxy)pentan-2-amine
SMILESCNCOC(C)(C)CC(C)N
InChIInChI=1S/C8H20N2O/c1-7(9)5-8(2,3)11-6-10-4/h7,10H,5-6,9H2,1-4H3
InChIKeyJOOJYWVHWNQBHQ-UHFFFAOYSA-N
XLogP0.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(methylaminomethoxy)pentan-2-amine?
The IUPAC name of 4-methyl-4-(methylaminomethoxy)pentan-2-amine (CID 130251979) is 4-methyl-4-(methylaminomethoxy)pentan-2-amine.
What is the SMILES notation for 4-methyl-4-(methylaminomethoxy)pentan-2-amine?
The canonical SMILES for 4-methyl-4-(methylaminomethoxy)pentan-2-amine is CNCOC(C)(C)CC(C)N.
What is the InChIKey of 4-methyl-4-(methylaminomethoxy)pentan-2-amine?
The InChIKey is JOOJYWVHWNQBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(9)5-8(2,3)11-6-10-4/h7,10H,5-6,9H2,1-4H3.
What are the key properties of 4-methyl-4-(methylaminomethoxy)pentan-2-amine?
4-methyl-4-(methylaminomethoxy)pentan-2-amine has a molecular weight of 160.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(methylaminomethoxy)pentan-2-amine is sourced from PubChem (CID 130251979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).