2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine

C12H31N5 — CID 14795132

IUPAC2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
SMILESCC(N)CNC(C)CNC(C)CNC(C)CN
InChIInChI=1S/C12H31N5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-12,15-17H,5-8,13-14H2,1-4H3
InChIKeyXATKKKJEQUUGFF-UHFFFAOYSA-N
MW245.41 g/mol
LogP-0.77
Rot. Bonds10

About 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine

2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine (PubChem CID 14795132) has the molecular formula C12H31N5 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
PubChem CID14795132
Molecular FormulaC12H31N5
Molecular Weight245.41 g/mol
Exact Mass245.26
IUPAC Name2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
SMILESCC(N)CNC(C)CNC(C)CNC(C)CN
InChIInChI=1S/C12H31N5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-12,15-17H,5-8,13-14H2,1-4H3
InChIKeyXATKKKJEQUUGFF-UHFFFAOYSA-N
XLogP-0.77
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 5-0.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine (CID 14795132) is 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine is CC(N)CNC(C)CNC(C)CNC(C)CN.
What is the InChIKey of 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine?
The InChIKey is XATKKKJEQUUGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N5/c1-9(14)6-15-11(3)8-17-12(4)7-16-10(2)5-13/h9-12,15-17H,5-8,13-14H2,1-4H3.
What are the key properties of 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine?
2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine has a molecular weight of 245.41 g/mol, XLogP of -0.77, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine is sourced from PubChem (CID 14795132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).