4-amino-1-(tert-butylamino)butan-2-ol

C8H20N2O — CID 18550835

IUPAC4-amino-1-(tert-butylamino)butan-2-ol
SMILESCC(C)(C)NCC(O)CCN
InChIInChI=1S/C8H20N2O/c1-8(2,3)10-6-7(11)4-5-9/h7,10-11H,4-6,9H2,1-3H3
InChIKeyWZTAGISNUIXNAD-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.08
Rot. Bonds4

About 4-amino-1-(tert-butylamino)butan-2-ol

4-amino-1-(tert-butylamino)butan-2-ol (PubChem CID 18550835) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-amino-1-(tert-butylamino)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(tert-butylamino)butan-2-ol
PubChem CID18550835
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name4-amino-1-(tert-butylamino)butan-2-ol
SMILESCC(C)(C)NCC(O)CCN
InChIInChI=1S/C8H20N2O/c1-8(2,3)10-6-7(11)4-5-9/h7,10-11H,4-6,9H2,1-3H3
InChIKeyWZTAGISNUIXNAD-UHFFFAOYSA-N
XLogP0.08
TPSA58.28 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 ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(tert-butylamino)butan-2-ol?
The IUPAC name of 4-amino-1-(tert-butylamino)butan-2-ol (CID 18550835) is 4-amino-1-(tert-butylamino)butan-2-ol.
What is the SMILES notation for 4-amino-1-(tert-butylamino)butan-2-ol?
The canonical SMILES for 4-amino-1-(tert-butylamino)butan-2-ol is CC(C)(C)NCC(O)CCN.
What is the InChIKey of 4-amino-1-(tert-butylamino)butan-2-ol?
The InChIKey is WZTAGISNUIXNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(2,3)10-6-7(11)4-5-9/h7,10-11H,4-6,9H2,1-3H3.
What are the key properties of 4-amino-1-(tert-butylamino)butan-2-ol?
4-amino-1-(tert-butylamino)butan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(tert-butylamino)butan-2-ol is sourced from PubChem (CID 18550835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).