4-(ethylamino)-2-methylbutan-1-ol

C7H17NO — CID 55288287

IUPAC4-(ethylamino)-2-methylbutan-1-ol
SMILESCCNCCC(C)CO
InChIInChI=1S/C7H17NO/c1-3-8-5-4-7(2)6-9/h7-9H,3-6H2,1-2H3
InChIKeyXZQDGRSWUZMXKS-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds5

About 4-(ethylamino)-2-methylbutan-1-ol

4-(ethylamino)-2-methylbutan-1-ol (PubChem CID 55288287) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-(ethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name4-(ethylamino)-2-methylbutan-1-ol
PubChem CID55288287
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-(ethylamino)-2-methylbutan-1-ol
SMILESCCNCCC(C)CO
InChIInChI=1S/C7H17NO/c1-3-8-5-4-7(2)6-9/h7-9H,3-6H2,1-2H3
InChIKeyXZQDGRSWUZMXKS-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(ethylamino)-2-methylbutan-1-ol?
The IUPAC name of 4-(ethylamino)-2-methylbutan-1-ol (CID 55288287) is 4-(ethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 4-(ethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 4-(ethylamino)-2-methylbutan-1-ol is CCNCCC(C)CO.
What is the InChIKey of 4-(ethylamino)-2-methylbutan-1-ol?
The InChIKey is XZQDGRSWUZMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-8-5-4-7(2)6-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-(ethylamino)-2-methylbutan-1-ol?
4-(ethylamino)-2-methylbutan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 55288287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).