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

C8H22N4 — CID 20834301

IUPAC2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine
SMILESCC(N)CNCCNC(C)CN
InChIInChI=1S/C8H22N4/c1-7(10)6-11-3-4-12-8(2)5-9/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyUDRMRSLPPDGMPF-UHFFFAOYSA-N
MW174.29 g/mol
LogP-1.14
Rot. Bonds7

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

2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine (PubChem CID 20834301) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine
PubChem CID20834301
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine
SMILESCC(N)CNCCNC(C)CN
InChIInChI=1S/C8H22N4/c1-7(10)6-11-3-4-12-8(2)5-9/h7-8,11-12H,3-6,9-10H2,1-2H3
InChIKeyUDRMRSLPPDGMPF-UHFFFAOYSA-N
XLogP-1.14
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine (CID 20834301) is 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine is CC(N)CNCCNC(C)CN.
What is the InChIKey of 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine?
The InChIKey is UDRMRSLPPDGMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-7(10)6-11-3-4-12-8(2)5-9/h7-8,11-12H,3-6,9-10H2,1-2H3.
What are the key properties of 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine?
2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine has a molecular weight of 174.29 g/mol, XLogP of -1.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-aminopropylamino)ethyl]propane-1,2-diamine is sourced from PubChem (CID 20834301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).