2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine

C18H39NO3 — CID 135279262

IUPAC2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine
SMILESCCC(NCCCCOCCOCCOC(C)(C)C)C(C)C
InChIInChI=1S/C18H39NO3/c1-7-17(16(2)3)19-10-8-9-11-20-12-13-21-14-15-22-18(4,5)6/h16-17,19H,7-15H2,1-6H3
InChIKeyRYGXUMVVQYOPGL-UHFFFAOYSA-N
MW317.51 g/mol
LogP3.64
Rot. Bonds14

About 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine

2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine (PubChem CID 135279262) has the molecular formula C18H39NO3 and a molecular weight of 317.51 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine
PubChem CID135279262
Molecular FormulaC18H39NO3
Molecular Weight317.51 g/mol
Exact Mass317.29
IUPAC Name2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine
SMILESCCC(NCCCCOCCOCCOC(C)(C)C)C(C)C
InChIInChI=1S/C18H39NO3/c1-7-17(16(2)3)19-10-8-9-11-20-12-13-21-14-15-22-18(4,5)6/h16-17,19H,7-15H2,1-6H3
InChIKeyRYGXUMVVQYOPGL-UHFFFAOYSA-N
XLogP3.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine (CID 135279262) is 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine is CCC(NCCCCOCCOCCOC(C)(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine?
The InChIKey is RYGXUMVVQYOPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3/c1-7-17(16(2)3)19-10-8-9-11-20-12-13-21-14-15-22-18(4,5)6/h16-17,19H,7-15H2,1-6H3.
What are the key properties of 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine?
2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine has a molecular weight of 317.51 g/mol, XLogP of 3.64, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]butyl]pentan-3-amine is sourced from PubChem (CID 135279262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).