1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine

C11H28N4 — CID 19037341

IUPAC1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine
SMILESCCC(N)NC(CC)NC(CC)N(C)C
InChIInChI=1S/C11H28N4/c1-6-9(12)13-10(7-2)14-11(8-3)15(4)5/h9-11,13-14H,6-8,12H2,1-5H3
InChIKeyNKTTXUBFOSVWSS-UHFFFAOYSA-N
MW216.37 g/mol
LogP0.89
Rot. Bonds8

About 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine

1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine (PubChem CID 19037341) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine
PubChem CID19037341
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine
SMILESCCC(N)NC(CC)NC(CC)N(C)C
InChIInChI=1S/C11H28N4/c1-6-9(12)13-10(7-2)14-11(8-3)15(4)5/h9-11,13-14H,6-8,12H2,1-5H3
InChIKeyNKTTXUBFOSVWSS-UHFFFAOYSA-N
XLogP0.89
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine?
The IUPAC name of 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine (CID 19037341) is 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine.
What is the SMILES notation for 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine?
The canonical SMILES for 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine is CCC(N)NC(CC)NC(CC)N(C)C.
What is the InChIKey of 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine?
The InChIKey is NKTTXUBFOSVWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-6-9(12)13-10(7-2)14-11(8-3)15(4)5/h9-11,13-14H,6-8,12H2,1-5H3.
What are the key properties of 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine?
1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine has a molecular weight of 216.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-[1-(dimethylamino)propylamino]propyl]propane-1,1-diamine is sourced from PubChem (CID 19037341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).