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

C9H24Cl2N2O — CID 45262608

IUPAC1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(C)NCC(O)CNC(C)C.Cl.Cl
InChIInChI=1S/C9H22N2O.2ClH/c1-7(2)10-5-9(12)6-11-8(3)4;;/h7-12H,5-6H2,1-4H3;2*1H
InChIKeyGIDASOWWYAIHMN-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.19
Rot. Bonds6

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

1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride (PubChem CID 45262608) has the molecular formula C9H24Cl2N2O and a molecular weight of 247.21 g/mol. Its IUPAC name is 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride
PubChem CID45262608
Molecular FormulaC9H24Cl2N2O
Molecular Weight247.21 g/mol
Exact Mass246.13
IUPAC Name1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride
SMILESCC(C)NCC(O)CNC(C)C.Cl.Cl
InChIInChI=1S/C9H22N2O.2ClH/c1-7(2)10-5-9(12)6-11-8(3)4;;/h7-12H,5-6H2,1-4H3;2*1H
InChIKeyGIDASOWWYAIHMN-UHFFFAOYSA-N
XLogP1.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride?
The IUPAC name of 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride (CID 45262608) is 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride.
What is the SMILES notation for 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride?
The canonical SMILES for 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride is CC(C)NCC(O)CNC(C)C.Cl.Cl.
What is the InChIKey of 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride?
The InChIKey is GIDASOWWYAIHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O.2ClH/c1-7(2)10-5-9(12)6-11-8(3)4;;/h7-12H,5-6H2,1-4H3;2*1H.
What are the key properties of 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride?
1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride has a molecular weight of 247.21 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(propan-2-ylamino)propan-2-ol;dihydrochloride is sourced from PubChem (CID 45262608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).