2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol

C10H24N2O — CID 64797844

IUPAC2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol
SMILESCCN(CCC(N)CO)CC(C)C
InChIInChI=1S/C10H24N2O/c1-4-12(7-9(2)3)6-5-10(11)8-13/h9-10,13H,4-8,11H2,1-3H3
InChIKeyAFODLGZAQHPIKM-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.67
Rot. Bonds7

About 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol

2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol (PubChem CID 64797844) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol
PubChem CID64797844
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol
SMILESCCN(CCC(N)CO)CC(C)C
InChIInChI=1S/C10H24N2O/c1-4-12(7-9(2)3)6-5-10(11)8-13/h9-10,13H,4-8,11H2,1-3H3
InChIKeyAFODLGZAQHPIKM-UHFFFAOYSA-N
XLogP0.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol?
The IUPAC name of 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol (CID 64797844) is 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol.
What is the SMILES notation for 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol?
The canonical SMILES for 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol is CCN(CCC(N)CO)CC(C)C.
What is the InChIKey of 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol?
The InChIKey is AFODLGZAQHPIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-12(7-9(2)3)6-5-10(11)8-13/h9-10,13H,4-8,11H2,1-3H3.
What are the key properties of 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol?
2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol is sourced from PubChem (CID 64797844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).