N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine

C8H16N4 — CID 14712111

IUPACN'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CCNCCN
InChIInChI=1S/C8H16N4/c1-7-8(12-6-11-7)2-4-10-5-3-9/h6,10H,2-5,9H2,1H3,(H,11,12)
InChIKeyWYWZSSVSWRLQSG-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.19
Rot. Bonds5

About N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine

N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine (PubChem CID 14712111) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine
PubChem CID14712111
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine
SMILESCc1[nH]cnc1CCNCCN
InChIInChI=1S/C8H16N4/c1-7-8(12-6-11-7)2-4-10-5-3-9/h6,10H,2-5,9H2,1H3,(H,11,12)
InChIKeyWYWZSSVSWRLQSG-UHFFFAOYSA-N
XLogP-0.19
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine (CID 14712111) is N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine is Cc1[nH]cnc1CCNCCN.
What is the InChIKey of N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine?
The InChIKey is WYWZSSVSWRLQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7-8(12-6-11-7)2-4-10-5-3-9/h6,10H,2-5,9H2,1H3,(H,11,12).
What are the key properties of N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine?
N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-methyl-1H-imidazol-4-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 14712111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).