1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine

C10H20N4 — CID 103110027

IUPAC1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cnc[nH]1
InChIInChI=1S/C10H20N4/c1-4-14(3)7-9(2)12-6-10-5-11-8-13-10/h5,8-9,12H,4,6-7H2,1-3H3,(H,11,13)
InChIKeySZEBQBDYQFDECE-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.84
Rot. Bonds6

About 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine

1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine (PubChem CID 103110027) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
PubChem CID103110027
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
SMILESCCN(C)CC(C)NCc1cnc[nH]1
InChIInChI=1S/C10H20N4/c1-4-14(3)7-9(2)12-6-10-5-11-8-13-10/h5,8-9,12H,4,6-7H2,1-3H3,(H,11,13)
InChIKeySZEBQBDYQFDECE-UHFFFAOYSA-N
XLogP0.84
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine (CID 103110027) is 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine is CCN(C)CC(C)NCc1cnc[nH]1.
What is the InChIKey of 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is SZEBQBDYQFDECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-14(3)7-9(2)12-6-10-5-11-8-13-10/h5,8-9,12H,4,6-7H2,1-3H3,(H,11,13).
What are the key properties of 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine?
1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103110027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).