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

C6H14N4 — CID 55290949

IUPACN'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
SMILESCC1CN=C(NCCN)N1
InChIInChI=1S/C6H14N4/c1-5-4-9-6(10-5)8-3-2-7/h5H,2-4,7H2,1H3,(H2,8,9,10)
InChIKeyLXJLGRLFCPLQEC-UHFFFAOYSA-N
MW142.21 g/mol
LogP-1.12
Rot. Bonds2

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

N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine (PubChem CID 55290949) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
PubChem CID55290949
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC NameN'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
SMILESCC1CN=C(NCCN)N1
InChIInChI=1S/C6H14N4/c1-5-4-9-6(10-5)8-3-2-7/h5H,2-4,7H2,1H3,(H2,8,9,10)
InChIKeyLXJLGRLFCPLQEC-UHFFFAOYSA-N
XLogP-1.12
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine (CID 55290949) is N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine is CC1CN=C(NCCN)N1.
What is the InChIKey of N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
The InChIKey is LXJLGRLFCPLQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-5-4-9-6(10-5)8-3-2-7/h5H,2-4,7H2,1H3,(H2,8,9,10).
What are the key properties of N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine?
N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine has a molecular weight of 142.21 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55290949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).