2-[[amino(ethyl)amino]methyl]butan-1-ol

C7H18N2O — CID 126516214

IUPAC2-[[amino(ethyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(N)CC
InChIInChI=1S/C7H18N2O/c1-3-7(6-10)5-9(8)4-2/h7,10H,3-6,8H2,1-2H3
InChIKeyVQPQINGDEDDHKQ-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.20
Rot. Bonds5

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

2-[[amino(ethyl)amino]methyl]butan-1-ol (PubChem CID 126516214) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[[amino(ethyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[amino(ethyl)amino]methyl]butan-1-ol
PubChem CID126516214
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[[amino(ethyl)amino]methyl]butan-1-ol
SMILESCCC(CO)CN(N)CC
InChIInChI=1S/C7H18N2O/c1-3-7(6-10)5-9(8)4-2/h7,10H,3-6,8H2,1-2H3
InChIKeyVQPQINGDEDDHKQ-UHFFFAOYSA-N
XLogP0.20
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[amino(ethyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-[[amino(ethyl)amino]methyl]butan-1-ol (CID 126516214) is 2-[[amino(ethyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[amino(ethyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[amino(ethyl)amino]methyl]butan-1-ol is CCC(CO)CN(N)CC.
What is the InChIKey of 2-[[amino(ethyl)amino]methyl]butan-1-ol?
The InChIKey is VQPQINGDEDDHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-3-7(6-10)5-9(8)4-2/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 2-[[amino(ethyl)amino]methyl]butan-1-ol?
2-[[amino(ethyl)amino]methyl]butan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(ethyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 126516214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).