1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine

C11H30N6 — CID 5245509

IUPAC1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine
SMILESCC(CN(CCN)CCN)N(CCN)CCN
InChIInChI=1S/C11H30N6/c1-11(17(8-4-14)9-5-15)10-16(6-2-12)7-3-13/h11H,2-10,12-15H2,1H3
InChIKeyMMYLEPZDAKFJRP-UHFFFAOYSA-N
MW246.40 g/mol
LogP-2.19
Rot. Bonds11

About 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine

1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine (PubChem CID 5245509) has the molecular formula C11H30N6 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine
PubChem CID5245509
Molecular FormulaC11H30N6
Molecular Weight246.40 g/mol
Exact Mass246.25
IUPAC Name1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine
SMILESCC(CN(CCN)CCN)N(CCN)CCN
InChIInChI=1S/C11H30N6/c1-11(17(8-4-14)9-5-15)10-16(6-2-12)7-3-13/h11H,2-10,12-15H2,1H3
InChIKeyMMYLEPZDAKFJRP-UHFFFAOYSA-N
XLogP-2.19
TPSA110.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine (CID 5245509) is 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine is CC(CN(CCN)CCN)N(CCN)CCN.
What is the InChIKey of 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine?
The InChIKey is MMYLEPZDAKFJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H30N6/c1-11(17(8-4-14)9-5-15)10-16(6-2-12)7-3-13/h11H,2-10,12-15H2,1H3.
What are the key properties of 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine?
1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of -2.19, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N-tetrakis(2-aminoethyl)propane-1,2-diamine is sourced from PubChem (CID 5245509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).