1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine

C9H17N3 — CID 115600994

IUPAC1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
SMILESCC1CC1C/N=C(\N)NC1CC1
InChIInChI=1S/C9H17N3/c1-6-4-7(6)5-11-9(10)12-8-2-3-8/h6-8H,2-5H2,1H3,(H3,10,11,12)
InChIKeyJBZKFYOSGGBPSD-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.71
Rot. Bonds3

About 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine

1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine (PubChem CID 115600994) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
PubChem CID115600994
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine
SMILESCC1CC1C/N=C(\N)NC1CC1
InChIInChI=1S/C9H17N3/c1-6-4-7(6)5-11-9(10)12-8-2-3-8/h6-8H,2-5H2,1H3,(H3,10,11,12)
InChIKeyJBZKFYOSGGBPSD-UHFFFAOYSA-N
XLogP0.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.71
H-Bond Donors ≤ 52
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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Related Compounds

1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclopropyl-2-[(2-hydroxycyclohexyl)methyl]guanidine
CID 64911289
2-[(2-tert-butyloxan-3-yl)methyl]-1-cyclopropylguanidine
CID 111428540
1-cyclopropyl-2-[(4-hydroxycyclohexyl)methyl]guanidine
CID 106136644
1-cyclopropyl-2-[(3-hydroxycyclohexyl)methyl]guanidine
CID 103696907
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
1-cyclohexyl-2-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110932852
1-cyclopropyl-2-(2-methylprop-2-enyl)guanidine
CID 115612296
1-hydroxy-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107420682
1-cyclopropyl-2-[(2R)-2-hydroxypropyl]guanidine
CID 131134548
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine
CID 119146529

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine (CID 115600994) is 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine is CC1CC1C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine?
The InChIKey is JBZKFYOSGGBPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6-4-7(6)5-11-9(10)12-8-2-3-8/h6-8H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine?
1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine has a molecular weight of 167.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-methylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 115600994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).