2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine

C11H23N3 — CID 103742062

IUPAC2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(C(C)C)CC1
InChIInChI=1S/C11H23N3/c1-4-7-13-10(12)14-8-11(5-6-11)9(2)3/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyCMFLFYQOXZGRHA-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.74
Rot. Bonds5

About 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine

2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine (PubChem CID 103742062) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
PubChem CID103742062
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(C(C)C)CC1
InChIInChI=1S/C11H23N3/c1-4-7-13-10(12)14-8-11(5-6-11)9(2)3/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyCMFLFYQOXZGRHA-UHFFFAOYSA-N
XLogP1.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.74
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-hexyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970331
1-butan-2-yl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970175
2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine
CID 103837178
2-[(1-methylsulfonylcyclopropyl)methyl]-1-propylguanidine
CID 120662788
2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine
CID 114756986
2-[(2-methylthiolan-2-yl)methyl]-1-propylguanidine
CID 80528023
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970324
1,3-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970171
1-phenyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970168
1-(3,5-dimethylphenyl)-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine
CID 111970363
1,1-diethyl-2-[(1-propan-2-ylcyclopropyl)methyl]guanidine;hydroiodide
CID 111970327
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine
CID 107265937

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine (CID 103742062) is 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(C(C)C)CC1.
What is the InChIKey of 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine?
The InChIKey is CMFLFYQOXZGRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-7-13-10(12)14-8-11(5-6-11)9(2)3/h9H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine?
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine has a molecular weight of 197.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine is sourced from PubChem (CID 103742062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).