N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine

C10H16N6 — CID 23422841

IUPACN,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine
SMILESc1ncc(CNCCNCc2cnc[nH]2)[nH]1
InChIInChI=1S/C10H16N6/c1(11-3-9-5-13-7-15-9)2-12-4-10-6-14-8-16-10/h5-8,11-12H,1-4H2,(H,13,15)(H,14,16)
InChIKeyVDIBDWKRJWVFLX-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.01
Rot. Bonds7

About N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine

N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 23422841) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID23422841
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC NameN,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine
SMILESc1ncc(CNCCNCc2cnc[nH]2)[nH]1
InChIInChI=1S/C10H16N6/c1(11-3-9-5-13-7-15-9)2-12-4-10-6-14-8-16-10/h5-8,11-12H,1-4H2,(H,13,15)(H,14,16)
InChIKeyVDIBDWKRJWVFLX-UHFFFAOYSA-N
XLogP0.01
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.01
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 N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine (CID 23422841) is N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine is c1ncc(CNCCNCc2cnc[nH]2)[nH]1.
What is the InChIKey of N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is VDIBDWKRJWVFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1(11-3-9-5-13-7-15-9)2-12-4-10-6-14-8-16-10/h5-8,11-12H,1-4H2,(H,13,15)(H,14,16).
What are the key properties of N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine?
N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 220.28 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1H-imidazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 23422841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).