1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine

C7H14N4 — CID 114401708

IUPAC1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine
SMILESNC1CC(NC2=NCCN2)C1
InChIInChI=1S/C7H14N4/c8-5-3-6(4-5)11-7-9-1-2-10-7/h5-6H,1-4,8H2,(H2,9,10,11)
InChIKeyLYJWRJCBHVJAIR-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.98
Rot. Bonds1

About 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine

1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine (PubChem CID 114401708) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine
PubChem CID114401708
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine
SMILESNC1CC(NC2=NCCN2)C1
InChIInChI=1S/C7H14N4/c8-5-3-6(4-5)11-7-9-1-2-10-7/h5-6H,1-4,8H2,(H2,9,10,11)
InChIKeyLYJWRJCBHVJAIR-UHFFFAOYSA-N
XLogP-0.98
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine (CID 114401708) is 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine is NC1CC(NC2=NCCN2)C1.
What is the InChIKey of 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine?
The InChIKey is LYJWRJCBHVJAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c8-5-3-6(4-5)11-7-9-1-2-10-7/h5-6H,1-4,8H2,(H2,9,10,11).
What are the key properties of 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine?
1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4,5-dihydro-1H-imidazol-2-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 114401708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).