2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine

C14H31NO2 — CID 134579861

IUPAC2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine
SMILESCC(C)CCCOCCOCCNCC(C)C
InChIInChI=1S/C14H31NO2/c1-13(2)6-5-8-16-10-11-17-9-7-15-12-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeySETJLUFBCAWHIB-UHFFFAOYSA-N
MW245.41 g/mol
LogP2.70
Rot. Bonds12

About 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine

2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine (PubChem CID 134579861) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine
PubChem CID134579861
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine
SMILESCC(C)CCCOCCOCCNCC(C)C
InChIInChI=1S/C14H31NO2/c1-13(2)6-5-8-16-10-11-17-9-7-15-12-14(3)4/h13-15H,5-12H2,1-4H3
InChIKeySETJLUFBCAWHIB-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 52.70
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 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine (CID 134579861) is 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine is CC(C)CCCOCCOCCNCC(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine?
The InChIKey is SETJLUFBCAWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-13(2)6-5-8-16-10-11-17-9-7-15-12-14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 2.70, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 134579861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).