1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine

C9H19N5 — CID 64868822

IUPAC1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine
SMILESNN/C(N)=N/CC1CCN(C2CC2)C1
InChIInChI=1S/C9H19N5/c10-9(13-11)12-5-7-3-4-14(6-7)8-1-2-8/h7-8H,1-6,11H2,(H3,10,12,13)
InChIKeyVILFTYFYAMOSEY-UHFFFAOYSA-N
MW197.29 g/mol
LogP-0.75
Rot. Bonds3

About 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine

1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 64868822) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine
PubChem CID64868822
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine
SMILESNN/C(N)=N/CC1CCN(C2CC2)C1
InChIInChI=1S/C9H19N5/c10-9(13-11)12-5-7-3-4-14(6-7)8-1-2-8/h7-8H,1-6,11H2,(H3,10,12,13)
InChIKeyVILFTYFYAMOSEY-UHFFFAOYSA-N
XLogP-0.75
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine (CID 64868822) is 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine is NN/C(N)=N/CC1CCN(C2CC2)C1.
What is the InChIKey of 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is VILFTYFYAMOSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c10-9(13-11)12-5-7-3-4-14(6-7)8-1-2-8/h7-8H,1-6,11H2,(H3,10,12,13).
What are the key properties of 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine?
1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 197.29 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(1-cyclopropylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 64868822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).