1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride

C10H26Cl2N2O2 — CID 45262641

IUPAC1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride
SMILESCC(C)NOCC(O)CNC(C)(C)C.Cl.Cl
InChIInChI=1S/C10H24N2O2.2ClH/c1-8(2)12-14-7-9(13)6-11-10(3,4)5;;/h8-9,11-13H,6-7H2,1-5H3;2*1H
InChIKeyUDSUWZHBOAEBNR-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.51
Rot. Bonds6

About 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride

1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride (PubChem CID 45262641) has the molecular formula C10H26Cl2N2O2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride
PubChem CID45262641
Molecular FormulaC10H26Cl2N2O2
Molecular Weight277.24 g/mol
Exact Mass276.14
IUPAC Name1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride
SMILESCC(C)NOCC(O)CNC(C)(C)C.Cl.Cl
InChIInChI=1S/C10H24N2O2.2ClH/c1-8(2)12-14-7-9(13)6-11-10(3,4)5;;/h8-9,11-13H,6-7H2,1-5H3;2*1H
InChIKeyUDSUWZHBOAEBNR-UHFFFAOYSA-N
XLogP1.51
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride (CID 45262641) is 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride is CC(C)NOCC(O)CNC(C)(C)C.Cl.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride?
The InChIKey is UDSUWZHBOAEBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2.2ClH/c1-8(2)12-14-7-9(13)6-11-10(3,4)5;;/h8-9,11-13H,6-7H2,1-5H3;2*1H.
What are the key properties of 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride?
1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride has a molecular weight of 277.24 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(propan-2-ylamino)oxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 45262641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).