1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

C16H24N4 — CID 110030229

IUPAC1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESCN(/C(N)=N/CC1CCN(c2ccccc2)C1)C1CC1
InChIInChI=1S/C16H24N4/c1-19(14-7-8-14)16(17)18-11-13-9-10-20(12-13)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,17,18)
InChIKeyAISQVKGAQACPEL-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.92
Rot. Bonds4

About 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine

1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (PubChem CID 110030229) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
PubChem CID110030229
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
SMILESCN(/C(N)=N/CC1CCN(c2ccccc2)C1)C1CC1
InChIInChI=1S/C16H24N4/c1-19(14-7-8-14)16(17)18-11-13-9-10-20(12-13)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,17,18)
InChIKeyAISQVKGAQACPEL-UHFFFAOYSA-N
XLogP1.92
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-methyl-2-[(1-pyridin-4-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 110031877
1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110030695
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 111065706
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065722
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
1-cyclopropyl-2-(3,3-diphenylpropyl)-1-methylguanidine;hydroiodide
CID 110029419
1-cyclopropyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 110030646

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine (CID 110030229) is 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is CN(/C(N)=N/CC1CCN(c2ccccc2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
The InChIKey is AISQVKGAQACPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-19(14-7-8-14)16(17)18-11-13-9-10-20(12-13)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H2,17,18).
What are the key properties of 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine?
1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine has a molecular weight of 272.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine is sourced from PubChem (CID 110030229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).