2,2-bis(butylamino)ethanol

C10H24N2O — CID 18172892

IUPAC2,2-bis(butylamino)ethanol
SMILESCCCCNC(CO)NCCCC
InChIInChI=1S/C10H24N2O/c1-3-5-7-11-10(9-13)12-8-6-4-2/h10-13H,3-9H2,1-2H3
InChIKeyQIHZVZCBJZMCAB-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.08
Rot. Bonds9

About 2,2-bis(butylamino)ethanol

2,2-bis(butylamino)ethanol (PubChem CID 18172892) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 2,2-bis(butylamino)ethanol.

Molecular Properties

Compound Name2,2-bis(butylamino)ethanol
PubChem CID18172892
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name2,2-bis(butylamino)ethanol
SMILESCCCCNC(CO)NCCCC
InChIInChI=1S/C10H24N2O/c1-3-5-7-11-10(9-13)12-8-6-4-2/h10-13H,3-9H2,1-2H3
InChIKeyQIHZVZCBJZMCAB-UHFFFAOYSA-N
XLogP1.08
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(butylamino)ethanol?
The IUPAC name of 2,2-bis(butylamino)ethanol (CID 18172892) is 2,2-bis(butylamino)ethanol.
What is the SMILES notation for 2,2-bis(butylamino)ethanol?
The canonical SMILES for 2,2-bis(butylamino)ethanol is CCCCNC(CO)NCCCC.
What is the InChIKey of 2,2-bis(butylamino)ethanol?
The InChIKey is QIHZVZCBJZMCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-3-5-7-11-10(9-13)12-8-6-4-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 2,2-bis(butylamino)ethanol?
2,2-bis(butylamino)ethanol has a molecular weight of 188.31 g/mol, XLogP of 1.08, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(butylamino)ethanol is sourced from PubChem (CID 18172892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).