3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine

C13H29NO2 — CID 88575451

IUPAC3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine
SMILESCCCOC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C13H29NO2/c1-6-10-15-13(4,5)8-11-16-12(2,3)7-9-14/h6-11,14H2,1-5H3
InChIKeyPUXOBIYDJRNJIB-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.73
Rot. Bonds9

About 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine

3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine (PubChem CID 88575451) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine
PubChem CID88575451
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine
SMILESCCCOC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C13H29NO2/c1-6-10-15-13(4,5)8-11-16-12(2,3)7-9-14/h6-11,14H2,1-5H3
InChIKeyPUXOBIYDJRNJIB-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine?
The IUPAC name of 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine (CID 88575451) is 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine?
The canonical SMILES for 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine is CCCOC(C)(C)CCOC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine?
The InChIKey is PUXOBIYDJRNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-10-15-13(4,5)8-11-16-12(2,3)7-9-14/h6-11,14H2,1-5H3.
What are the key properties of 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine?
3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methyl-3-propoxybutoxy)butan-1-amine is sourced from PubChem (CID 88575451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).