1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine

C8H17N3 — CID 63858782

IUPAC1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine
SMILESC/N=C(\N)N(C)CC1CC1C
InChIInChI=1S/C8H17N3/c1-6-4-7(6)5-11(3)8(9)10-2/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyWYCSRVVYFPKESK-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.52
Rot. Bonds2

About 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine

1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine (PubChem CID 63858782) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine
PubChem CID63858782
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine
SMILESC/N=C(\N)N(C)CC1CC1C
InChIInChI=1S/C8H17N3/c1-6-4-7(6)5-11(3)8(9)10-2/h6-7H,4-5H2,1-3H3,(H2,9,10)
InChIKeyWYCSRVVYFPKESK-UHFFFAOYSA-N
XLogP0.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.52
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-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine?
The IUPAC name of 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine (CID 63858782) is 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine is C/N=C(\N)N(C)CC1CC1C.
What is the InChIKey of 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine?
The InChIKey is WYCSRVVYFPKESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-6-4-7(6)5-11(3)8(9)10-2/h6-7H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine?
1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine has a molecular weight of 155.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(2-methylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 63858782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).