4-(2-aminoethylamino)-2-methylbutan-2-ol

C7H18N2O — CID 79361270

IUPAC4-(2-aminoethylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCCN
InChIInChI=1S/C7H18N2O/c1-7(2,10)3-5-9-6-4-8/h9-10H,3-6,8H2,1-2H3
InChIKeyFSWQUPMRVIQROO-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.30
Rot. Bonds5

About 4-(2-aminoethylamino)-2-methylbutan-2-ol

4-(2-aminoethylamino)-2-methylbutan-2-ol (PubChem CID 79361270) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-(2-aminoethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-aminoethylamino)-2-methylbutan-2-ol
PubChem CID79361270
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name4-(2-aminoethylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)CCNCCN
InChIInChI=1S/C7H18N2O/c1-7(2,10)3-5-9-6-4-8/h9-10H,3-6,8H2,1-2H3
InChIKeyFSWQUPMRVIQROO-UHFFFAOYSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.30
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-(2-aminoethylamino)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-aminoethylamino)-2-methylbutan-2-ol (CID 79361270) is 4-(2-aminoethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-aminoethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-aminoethylamino)-2-methylbutan-2-ol is CC(C)(O)CCNCCN.
What is the InChIKey of 4-(2-aminoethylamino)-2-methylbutan-2-ol?
The InChIKey is FSWQUPMRVIQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(2,10)3-5-9-6-4-8/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-aminoethylamino)-2-methylbutan-2-ol?
4-(2-aminoethylamino)-2-methylbutan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 79361270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).