1,2-dicyclopropyl-1-methylguanidine

C8H15N3 — CID 62359014

IUPAC1,2-dicyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/C1CC1)C1CC1
InChIInChI=1S/C8H15N3/c1-11(7-4-5-7)8(9)10-6-2-3-6/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyPVOIOVTYXJIITK-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.56
Rot. Bonds2

About 1,2-dicyclopropyl-1-methylguanidine

1,2-dicyclopropyl-1-methylguanidine (PubChem CID 62359014) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1,2-dicyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name1,2-dicyclopropyl-1-methylguanidine
PubChem CID62359014
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1,2-dicyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/C1CC1)C1CC1
InChIInChI=1S/C8H15N3/c1-11(7-4-5-7)8(9)10-6-2-3-6/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyPVOIOVTYXJIITK-UHFFFAOYSA-N
XLogP0.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclopropyl-1-methylguanidine?
The IUPAC name of 1,2-dicyclopropyl-1-methylguanidine (CID 62359014) is 1,2-dicyclopropyl-1-methylguanidine.
What is the SMILES notation for 1,2-dicyclopropyl-1-methylguanidine?
The canonical SMILES for 1,2-dicyclopropyl-1-methylguanidine is CN(/C(N)=N/C1CC1)C1CC1.
What is the InChIKey of 1,2-dicyclopropyl-1-methylguanidine?
The InChIKey is PVOIOVTYXJIITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-11(7-4-5-7)8(9)10-6-2-3-6/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of 1,2-dicyclopropyl-1-methylguanidine?
1,2-dicyclopropyl-1-methylguanidine has a molecular weight of 153.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclopropyl-1-methylguanidine is sourced from PubChem (CID 62359014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).