1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol

C13H31N3O — CID 64818665

IUPAC1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCC(C)CN(CCN(C)C)CCC(C)(O)CN
InChIInChI=1S/C13H31N3O/c1-12(2)10-16(9-8-15(4)5)7-6-13(3,17)11-14/h12,17H,6-11,14H2,1-5H3
InChIKeyAGRCNTQZWCZEET-UHFFFAOYSA-N
MW245.41 g/mol
LogP0.61
Rot. Bonds9

About 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol

1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol (PubChem CID 64818665) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol
PubChem CID64818665
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol
SMILESCC(C)CN(CCN(C)C)CCC(C)(O)CN
InChIInChI=1S/C13H31N3O/c1-12(2)10-16(9-8-15(4)5)7-6-13(3,17)11-14/h12,17H,6-11,14H2,1-5H3
InChIKeyAGRCNTQZWCZEET-UHFFFAOYSA-N
XLogP0.61
TPSA52.73 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol (CID 64818665) is 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol is CC(C)CN(CCN(C)C)CCC(C)(O)CN.
What is the InChIKey of 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol?
The InChIKey is AGRCNTQZWCZEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-12(2)10-16(9-8-15(4)5)7-6-13(3,17)11-14/h12,17H,6-11,14H2,1-5H3.
What are the key properties of 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol?
1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 64818665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).