4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol

C13H30N2O — CID 79361244

IUPAC4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol
SMILESCC(C)N(CCNCCC(C)(C)O)C(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)15(12(3)4)10-9-14-8-7-13(5,6)16/h11-12,14,16H,7-10H2,1-6H3
InChIKeyFBPPYHSNYHNPEB-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.86
Rot. Bonds8

About 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol

4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol (PubChem CID 79361244) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol
PubChem CID79361244
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol
SMILESCC(C)N(CCNCCC(C)(C)O)C(C)C
InChIInChI=1S/C13H30N2O/c1-11(2)15(12(3)4)10-9-14-8-7-13(5,6)16/h11-12,14,16H,7-10H2,1-6H3
InChIKeyFBPPYHSNYHNPEB-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
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-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol (CID 79361244) is 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol is CC(C)N(CCNCCC(C)(C)O)C(C)C.
What is the InChIKey of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol?
The InChIKey is FBPPYHSNYHNPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(2)15(12(3)4)10-9-14-8-7-13(5,6)16/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol?
4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79361244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).