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

C16H28N2O — CID 3062649

IUPAC1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1ccccc1NCC(O)CNC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)14-8-6-7-9-15(14)17-10-13(19)11-18-16(3,4)5/h6-9,12-13,17-19H,10-11H2,1-5H3
InChIKeyYRZFJOXDDNCCDX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.97
Rot. Bonds6

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

1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol (PubChem CID 3062649) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol
PubChem CID3062649
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol
SMILESCC(C)c1ccccc1NCC(O)CNC(C)(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)14-8-6-7-9-15(14)17-10-13(19)11-18-16(3,4)5/h6-9,12-13,17-19H,10-11H2,1-5H3
InChIKeyYRZFJOXDDNCCDX-UHFFFAOYSA-N
XLogP2.97
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol (CID 3062649) is 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol is CC(C)c1ccccc1NCC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol?
The InChIKey is YRZFJOXDDNCCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)14-8-6-7-9-15(14)17-10-13(19)11-18-16(3,4)5/h6-9,12-13,17-19H,10-11H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol?
1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol has a molecular weight of 264.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-propan-2-ylanilino)propan-2-ol is sourced from PubChem (CID 3062649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).