1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine

C11H23N3 — CID 103761307

IUPAC1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine
SMILESCCCC1(C/N=C(\N)NC(C)C)CC1
InChIInChI=1S/C11H23N3/c1-4-5-11(6-7-11)8-13-10(12)14-9(2)3/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyOCFOPPUKCKMVIS-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.88
Rot. Bonds5

About 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine

1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine (PubChem CID 103761307) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine
PubChem CID103761307
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine
SMILESCCCC1(C/N=C(\N)NC(C)C)CC1
InChIInChI=1S/C11H23N3/c1-4-5-11(6-7-11)8-13-10(12)14-9(2)3/h9H,4-8H2,1-3H3,(H3,12,13,14)
InChIKeyOCFOPPUKCKMVIS-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine?
The IUPAC name of 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine (CID 103761307) is 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine.
What is the SMILES notation for 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine?
The canonical SMILES for 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine is CCCC1(C/N=C(\N)NC(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine?
The InChIKey is OCFOPPUKCKMVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-5-11(6-7-11)8-13-10(12)14-9(2)3/h9H,4-8H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine?
1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine has a molecular weight of 197.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine is sourced from PubChem (CID 103761307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).