4-(3-hydroxypropylamino)-3-methylbutan-2-ol

C8H19NO2 — CID 19354113

IUPAC4-(3-hydroxypropylamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)CNCCCO
InChIInChI=1S/C8H19NO2/c1-7(8(2)11)6-9-4-3-5-10/h7-11H,3-6H2,1-2H3
InChIKeyNWCXGZDARWANGW-UHFFFAOYSA-N
MW161.24 g/mol
LogP-0.02
Rot. Bonds6

About 4-(3-hydroxypropylamino)-3-methylbutan-2-ol

4-(3-hydroxypropylamino)-3-methylbutan-2-ol (PubChem CID 19354113) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)-3-methylbutan-2-ol
PubChem CID19354113
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name4-(3-hydroxypropylamino)-3-methylbutan-2-ol
SMILESCC(O)C(C)CNCCCO
InChIInChI=1S/C8H19NO2/c1-7(8(2)11)6-9-4-3-5-10/h7-11H,3-6H2,1-2H3
InChIKeyNWCXGZDARWANGW-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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-(3-hydroxypropylamino)-3-methylbutan-2-ol?
The IUPAC name of 4-(3-hydroxypropylamino)-3-methylbutan-2-ol (CID 19354113) is 4-(3-hydroxypropylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 4-(3-hydroxypropylamino)-3-methylbutan-2-ol?
The canonical SMILES for 4-(3-hydroxypropylamino)-3-methylbutan-2-ol is CC(O)C(C)CNCCCO.
What is the InChIKey of 4-(3-hydroxypropylamino)-3-methylbutan-2-ol?
The InChIKey is NWCXGZDARWANGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(8(2)11)6-9-4-3-5-10/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-(3-hydroxypropylamino)-3-methylbutan-2-ol?
4-(3-hydroxypropylamino)-3-methylbutan-2-ol has a molecular weight of 161.24 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 19354113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).