2-amino-N',N'-bis(2-aminoethyl)butanediamide

C8H19N5O2 — CID 90996952

IUPAC2-amino-N',N'-bis(2-aminoethyl)butanediamide
SMILESNCCN(CCN)C(=O)CC(N)C(N)=O
InChIInChI=1S/C8H19N5O2/c9-1-3-13(4-2-10)7(14)5-6(11)8(12)15/h6H,1-5,9-11H2,(H2,12,15)
InChIKeyLAWAHPLCVFZMOZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP-3.06
Rot. Bonds7

About 2-amino-N',N'-bis(2-aminoethyl)butanediamide

2-amino-N',N'-bis(2-aminoethyl)butanediamide (PubChem CID 90996952) has the molecular formula C8H19N5O2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-amino-N',N'-bis(2-aminoethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N',N'-bis(2-aminoethyl)butanediamide
PubChem CID90996952
Molecular FormulaC8H19N5O2
Molecular Weight217.27 g/mol
Exact Mass217.15
IUPAC Name2-amino-N',N'-bis(2-aminoethyl)butanediamide
SMILESNCCN(CCN)C(=O)CC(N)C(N)=O
InChIInChI=1S/C8H19N5O2/c9-1-3-13(4-2-10)7(14)5-6(11)8(12)15/h6H,1-5,9-11H2,(H2,12,15)
InChIKeyLAWAHPLCVFZMOZ-UHFFFAOYSA-N
XLogP-3.06
TPSA141.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-3.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N',N'-bis(2-aminoethyl)butanediamide?
The IUPAC name of 2-amino-N',N'-bis(2-aminoethyl)butanediamide (CID 90996952) is 2-amino-N',N'-bis(2-aminoethyl)butanediamide.
What is the SMILES notation for 2-amino-N',N'-bis(2-aminoethyl)butanediamide?
The canonical SMILES for 2-amino-N',N'-bis(2-aminoethyl)butanediamide is NCCN(CCN)C(=O)CC(N)C(N)=O.
What is the InChIKey of 2-amino-N',N'-bis(2-aminoethyl)butanediamide?
The InChIKey is LAWAHPLCVFZMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O2/c9-1-3-13(4-2-10)7(14)5-6(11)8(12)15/h6H,1-5,9-11H2,(H2,12,15).
What are the key properties of 2-amino-N',N'-bis(2-aminoethyl)butanediamide?
2-amino-N',N'-bis(2-aminoethyl)butanediamide has a molecular weight of 217.27 g/mol, XLogP of -3.06, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N',N'-bis(2-aminoethyl)butanediamide is sourced from PubChem (CID 90996952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).