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

C8H16N4 — CID 102056012

IUPACN'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCc1cnc[nH]1
InChIInChI=1S/C8H16N4/c1-9-4-5-10-3-2-8-6-11-7-12-8/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyGKHSRVMRKMLUJY-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.24
Rot. Bonds6

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

N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 102056012) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
PubChem CID102056012
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC NameN'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCc1cnc[nH]1
InChIInChI=1S/C8H16N4/c1-9-4-5-10-3-2-8-6-11-7-12-8/h6-7,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyGKHSRVMRKMLUJY-UHFFFAOYSA-N
XLogP-0.24
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine (CID 102056012) is N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine is CNCCNCCc1cnc[nH]1.
What is the InChIKey of N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is GKHSRVMRKMLUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-9-4-5-10-3-2-8-6-11-7-12-8/h6-7,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine?
N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-imidazol-5-yl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 102056012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).