1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine

C11H28N4 — CID 175965155

IUPAC1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine
SMILESCCC(N(C)C)N(C)C(CCNC)NC
InChIInChI=1S/C11H28N4/c1-7-11(14(4)5)15(6)10(13-3)8-9-12-2/h10-13H,7-9H2,1-6H3
InChIKeyAHKQEXQPNRUMNS-UHFFFAOYSA-N
MW216.37 g/mol
LogP0.37
Rot. Bonds8

About 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine

1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine (PubChem CID 175965155) has the molecular formula C11H28N4 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine.

Molecular Properties

Compound Name1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine
PubChem CID175965155
Molecular FormulaC11H28N4
Molecular Weight216.37 g/mol
Exact Mass216.23
IUPAC Name1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine
SMILESCCC(N(C)C)N(C)C(CCNC)NC
InChIInChI=1S/C11H28N4/c1-7-11(14(4)5)15(6)10(13-3)8-9-12-2/h10-13H,7-9H2,1-6H3
InChIKeyAHKQEXQPNRUMNS-UHFFFAOYSA-N
XLogP0.37
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 50.37
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-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine?
The IUPAC name of 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine (CID 175965155) is 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine.
What is the SMILES notation for 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine?
The canonical SMILES for 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine is CCC(N(C)C)N(C)C(CCNC)NC.
What is the InChIKey of 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine?
The InChIKey is AHKQEXQPNRUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N4/c1-7-11(14(4)5)15(6)10(13-3)8-9-12-2/h10-13H,7-9H2,1-6H3.
What are the key properties of 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine?
1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine has a molecular weight of 216.37 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(dimethylamino)propyl]-1-N,1-N',3-N-trimethylpropane-1,1,3-triamine is sourced from PubChem (CID 175965155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).