4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

C13H31N3O — CID 64792219

IUPAC4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN(C)CCN(C)C
InChIInChI=1S/C13H31N3O/c1-12(2)14-13(3,11-17)7-8-16(6)10-9-15(4)5/h12,14,17H,7-11H2,1-6H3
InChIKeyIJGYZPFANRMZIH-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.62
Rot. Bonds9

About 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64792219) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64792219
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN(C)CCN(C)C
InChIInChI=1S/C13H31N3O/c1-12(2)14-13(3,11-17)7-8-16(6)10-9-15(4)5/h12,14,17H,7-11H2,1-6H3
InChIKeyIJGYZPFANRMZIH-UHFFFAOYSA-N
XLogP0.62
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64792219) is 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCN(C)CCN(C)C.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is IJGYZPFANRMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-12(2)14-13(3,11-17)7-8-16(6)10-9-15(4)5/h12,14,17H,7-11H2,1-6H3.
What are the key properties of 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 245.41 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64792219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).