2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol

C12H29N3O — CID 134891098

IUPAC2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCC(N)(CNC(C)(C)C)CNC(C)(C)CO
InChIInChI=1S/C12H29N3O/c1-10(2,3)14-7-12(6,13)8-15-11(4,5)9-16/h14-16H,7-9,13H2,1-6H3
InChIKeyFBABWGVQDZLZNG-UHFFFAOYSA-N
MW231.38 g/mol
LogP0.45
Rot. Bonds6

About 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol

2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol (PubChem CID 134891098) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
PubChem CID134891098
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC Name2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCC(N)(CNC(C)(C)C)CNC(C)(C)CO
InChIInChI=1S/C12H29N3O/c1-10(2,3)14-7-12(6,13)8-15-11(4,5)9-16/h14-16H,7-9,13H2,1-6H3
InChIKeyFBABWGVQDZLZNG-UHFFFAOYSA-N
XLogP0.45
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol (CID 134891098) is 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol is CC(N)(CNC(C)(C)C)CNC(C)(C)CO.
What is the InChIKey of 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The InChIKey is FBABWGVQDZLZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O/c1-10(2,3)14-7-12(6,13)8-15-11(4,5)9-16/h14-16H,7-9,13H2,1-6H3.
What are the key properties of 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol?
2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol has a molecular weight of 231.38 g/mol, XLogP of 0.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-3-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 134891098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).