4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol

C12H27NO2 — CID 106451757

IUPAC4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
SMILESCC(C)COCCNC(CO)CC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)7-12(8-14)13-5-6-15-9-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyYGDTXTNKVUMBQI-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.66
Rot. Bonds9

About 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol

4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol (PubChem CID 106451757) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
PubChem CID106451757
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
SMILESCC(C)COCCNC(CO)CC(C)C
InChIInChI=1S/C12H27NO2/c1-10(2)7-12(8-14)13-5-6-15-9-11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyYGDTXTNKVUMBQI-UHFFFAOYSA-N
XLogP1.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
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 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol (CID 106451757) is 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol is CC(C)COCCNC(CO)CC(C)C.
What is the InChIKey of 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol?
The InChIKey is YGDTXTNKVUMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)7-12(8-14)13-5-6-15-9-11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol?
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol has a molecular weight of 217.35 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol is sourced from PubChem (CID 106451757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).