1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride

C11H28Cl2N2O — CID 45262643

IUPAC1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride
SMILESCC(C)(C)NCC(O)CNC(C)(C)C.Cl.Cl
InChIInChI=1S/C11H26N2O.2ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;;/h9,12-14H,7-8H2,1-6H3;2*1H
InChIKeyVVFFSPCPYOYJDS-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.97
Rot. Bonds4

About 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride

1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride (PubChem CID 45262643) has the molecular formula C11H28Cl2N2O and a molecular weight of 275.26 g/mol. Its IUPAC name is 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride
PubChem CID45262643
Molecular FormulaC11H28Cl2N2O
Molecular Weight275.26 g/mol
Exact Mass274.16
IUPAC Name1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride
SMILESCC(C)(C)NCC(O)CNC(C)(C)C.Cl.Cl
InChIInChI=1S/C11H26N2O.2ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;;/h9,12-14H,7-8H2,1-6H3;2*1H
InChIKeyVVFFSPCPYOYJDS-UHFFFAOYSA-N
XLogP1.97
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride (CID 45262643) is 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride is CC(C)(C)NCC(O)CNC(C)(C)C.Cl.Cl.
What is the InChIKey of 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride?
The InChIKey is VVFFSPCPYOYJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O.2ClH/c1-10(2,3)12-7-9(14)8-13-11(4,5)6;;/h9,12-14H,7-8H2,1-6H3;2*1H.
What are the key properties of 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride?
1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride has a molecular weight of 275.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(tert-butylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 45262643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).