1-[1,1-bis(dimethylamino)propylamino]propan-2-ol

C10H25N3O — CID 87108795

IUPAC1-[1,1-bis(dimethylamino)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)(N(C)C)N(C)C
InChIInChI=1S/C10H25N3O/c1-7-10(12(3)4,13(5)6)11-8-9(2)14/h9,11,14H,7-8H2,1-6H3
InChIKeyHDDXIEUHSMTYBT-UHFFFAOYSA-N
MW203.33 g/mol
LogP0.14
Rot. Bonds6

About 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol

1-[1,1-bis(dimethylamino)propylamino]propan-2-ol (PubChem CID 87108795) has the molecular formula C10H25N3O and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1,1-bis(dimethylamino)propylamino]propan-2-ol
PubChem CID87108795
Molecular FormulaC10H25N3O
Molecular Weight203.33 g/mol
Exact Mass203.20
IUPAC Name1-[1,1-bis(dimethylamino)propylamino]propan-2-ol
SMILESCCC(NCC(C)O)(N(C)C)N(C)C
InChIInChI=1S/C10H25N3O/c1-7-10(12(3)4,13(5)6)11-8-9(2)14/h9,11,14H,7-8H2,1-6H3
InChIKeyHDDXIEUHSMTYBT-UHFFFAOYSA-N
XLogP0.14
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol?
The IUPAC name of 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol (CID 87108795) is 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol.
What is the SMILES notation for 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol?
The canonical SMILES for 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol is CCC(NCC(C)O)(N(C)C)N(C)C.
What is the InChIKey of 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol?
The InChIKey is HDDXIEUHSMTYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O/c1-7-10(12(3)4,13(5)6)11-8-9(2)14/h9,11,14H,7-8H2,1-6H3.
What are the key properties of 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol?
1-[1,1-bis(dimethylamino)propylamino]propan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(dimethylamino)propylamino]propan-2-ol is sourced from PubChem (CID 87108795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).