1-(tert-butylamino)-3-(methylamino)propan-2-ol

C8H20N2O — CID 2838509

IUPAC1-(tert-butylamino)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CNC(C)(C)C
InChIInChI=1S/C8H20N2O/c1-8(2,3)10-6-7(11)5-9-4/h7,9-11H,5-6H2,1-4H3
InChIKeyIWXBQJZOVQJLIR-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.05
Rot. Bonds4

About 1-(tert-butylamino)-3-(methylamino)propan-2-ol

1-(tert-butylamino)-3-(methylamino)propan-2-ol (PubChem CID 2838509) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(methylamino)propan-2-ol
PubChem CID2838509
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-(tert-butylamino)-3-(methylamino)propan-2-ol
SMILESCNCC(O)CNC(C)(C)C
InChIInChI=1S/C8H20N2O/c1-8(2,3)10-6-7(11)5-9-4/h7,9-11H,5-6H2,1-4H3
InChIKeyIWXBQJZOVQJLIR-UHFFFAOYSA-N
XLogP-0.05
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(tert-butylamino)-3-(methylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(methylamino)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(methylamino)propan-2-ol (CID 2838509) is 1-(tert-butylamino)-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(methylamino)propan-2-ol is CNCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(methylamino)propan-2-ol?
The InChIKey is IWXBQJZOVQJLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2,3)10-6-7(11)5-9-4/h7,9-11H,5-6H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(methylamino)propan-2-ol?
1-(tert-butylamino)-3-(methylamino)propan-2-ol has a molecular weight of 160.26 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(methylamino)propan-2-ol is sourced from PubChem (CID 2838509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).