N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine

C13H29NO2 — CID 106450140

IUPACN-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
SMILESCCNCC(OCCOCC(C)C)C(C)C
InChIInChI=1S/C13H29NO2/c1-6-14-9-13(12(4)5)16-8-7-15-10-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyVFYBLCZOKBXXGN-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.31
Rot. Bonds10

About N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine

N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine (PubChem CID 106450140) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
PubChem CID106450140
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine
SMILESCCNCC(OCCOCC(C)C)C(C)C
InChIInChI=1S/C13H29NO2/c1-6-14-9-13(12(4)5)16-8-7-15-10-11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyVFYBLCZOKBXXGN-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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 N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine (CID 106450140) is N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine is CCNCC(OCCOCC(C)C)C(C)C.
What is the InChIKey of N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
The InChIKey is VFYBLCZOKBXXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-14-9-13(12(4)5)16-8-7-15-10-11(2)3/h11-14H,6-10H2,1-5H3.
What are the key properties of N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine?
N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-[2-(2-methylpropoxy)ethoxy]butan-1-amine is sourced from PubChem (CID 106450140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).