1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol

C13H31N3O — CID 22606974

IUPAC1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol
SMILESCCC(N(C)C)N(CC(C)O)C(CC)N(C)C
InChIInChI=1S/C13H31N3O/c1-8-12(14(4)5)16(10-11(3)17)13(9-2)15(6)7/h11-13,17H,8-10H2,1-7H3
InChIKeyVPVVKVUXSAWQFZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP1.26
Rot. Bonds8

About 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol

1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol (PubChem CID 22606974) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol
PubChem CID22606974
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC Name1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol
SMILESCCC(N(C)C)N(CC(C)O)C(CC)N(C)C
InChIInChI=1S/C13H31N3O/c1-8-12(14(4)5)16(10-11(3)17)13(9-2)15(6)7/h11-13,17H,8-10H2,1-7H3
InChIKeyVPVVKVUXSAWQFZ-UHFFFAOYSA-N
XLogP1.26
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
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-[bis[1-(dimethylamino)propyl]amino]propan-2-ol?
The IUPAC name of 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol (CID 22606974) is 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol.
What is the SMILES notation for 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol?
The canonical SMILES for 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol is CCC(N(C)C)N(CC(C)O)C(CC)N(C)C.
What is the InChIKey of 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol?
The InChIKey is VPVVKVUXSAWQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-8-12(14(4)5)16(10-11(3)17)13(9-2)15(6)7/h11-13,17H,8-10H2,1-7H3.
What are the key properties of 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol?
1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis[1-(dimethylamino)propyl]amino]propan-2-ol is sourced from PubChem (CID 22606974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).