4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine

C13H30N2O — CID 89159418

IUPAC4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine
SMILESCCC(C)(CC(C)N)OCC(C)C(C)NC
InChIInChI=1S/C13H30N2O/c1-7-13(5,8-11(3)14)16-9-10(2)12(4)15-6/h10-12,15H,7-9,14H2,1-6H3
InChIKeyQXSNRVIYZDZPIR-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.15
Rot. Bonds8

About 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine

4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine (PubChem CID 89159418) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine.

Molecular Properties

Compound Name4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine
PubChem CID89159418
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine
SMILESCCC(C)(CC(C)N)OCC(C)C(C)NC
InChIInChI=1S/C13H30N2O/c1-7-13(5,8-11(3)14)16-9-10(2)12(4)15-6/h10-12,15H,7-9,14H2,1-6H3
InChIKeyQXSNRVIYZDZPIR-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine?
The IUPAC name of 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine (CID 89159418) is 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine.
What is the SMILES notation for 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine?
The canonical SMILES for 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine is CCC(C)(CC(C)N)OCC(C)C(C)NC.
What is the InChIKey of 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine?
The InChIKey is QXSNRVIYZDZPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-13(5,8-11(3)14)16-9-10(2)12(4)15-6/h10-12,15H,7-9,14H2,1-6H3.
What are the key properties of 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine?
4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine has a molecular weight of 230.40 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[2-methyl-3-(methylamino)butoxy]hexan-2-amine is sourced from PubChem (CID 89159418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).