4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one

C15H32N2O3 — CID 163640751

IUPAC4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one
SMILESCC(C)NCCC(C)OCCOCCC(=O)C(C)(C)N
InChIInChI=1S/C15H32N2O3/c1-12(2)17-8-6-13(3)20-11-10-19-9-7-14(18)15(4,5)16/h12-13,17H,6-11,16H2,1-5H3
InChIKeyIEAVQNNNAMFCGW-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.49
Rot. Bonds12

About 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one

4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one (PubChem CID 163640751) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one.

Molecular Properties

Compound Name4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one
PubChem CID163640751
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one
SMILESCC(C)NCCC(C)OCCOCCC(=O)C(C)(C)N
InChIInChI=1S/C15H32N2O3/c1-12(2)17-8-6-13(3)20-11-10-19-9-7-14(18)15(4,5)16/h12-13,17H,6-11,16H2,1-5H3
InChIKeyIEAVQNNNAMFCGW-UHFFFAOYSA-N
XLogP1.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one?
The IUPAC name of 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one (CID 163640751) is 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one.
What is the SMILES notation for 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one?
The canonical SMILES for 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one is CC(C)NCCC(C)OCCOCCC(=O)C(C)(C)N.
What is the InChIKey of 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one?
The InChIKey is IEAVQNNNAMFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-12(2)17-8-6-13(3)20-11-10-19-9-7-14(18)15(4,5)16/h12-13,17H,6-11,16H2,1-5H3.
What are the key properties of 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one?
4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one has a molecular weight of 288.43 g/mol, XLogP of 1.49, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-1-[2-[4-(propan-2-ylamino)butan-2-yloxy]ethoxy]pentan-3-one is sourced from PubChem (CID 163640751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).