3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol

C10H24N2O2 — CID 64897671

IUPAC3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol
SMILESCCOCCN(CC)C(CO)C(C)N
InChIInChI=1S/C10H24N2O2/c1-4-12(6-7-14-5-2)10(8-13)9(3)11/h9-10,13H,4-8,11H2,1-3H3
InChIKeyKUHHTNDANWOAMO-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.05
Rot. Bonds8

About 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol

3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol (PubChem CID 64897671) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol
PubChem CID64897671
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol
SMILESCCOCCN(CC)C(CO)C(C)N
InChIInChI=1S/C10H24N2O2/c1-4-12(6-7-14-5-2)10(8-13)9(3)11/h9-10,13H,4-8,11H2,1-3H3
InChIKeyKUHHTNDANWOAMO-UHFFFAOYSA-N
XLogP0.05
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol?
The IUPAC name of 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol (CID 64897671) is 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol?
The canonical SMILES for 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol is CCOCCN(CC)C(CO)C(C)N.
What is the InChIKey of 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol?
The InChIKey is KUHHTNDANWOAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c1-4-12(6-7-14-5-2)10(8-13)9(3)11/h9-10,13H,4-8,11H2,1-3H3.
What are the key properties of 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol?
3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol is sourced from PubChem (CID 64897671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).