2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine

C15H20N4 — CID 111910545

IUPAC2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H20N4/c1-3-10-17-15(16-2)18-13-9-11-19(12-13)14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3,(H2,16,17,18)
InChIKeyMPNFXPREPFACRS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine

2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine (PubChem CID 111910545) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
PubChem CID111910545
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C15H20N4/c1-3-10-17-15(16-2)18-13-9-11-19(12-13)14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3,(H2,16,17,18)
InChIKeyMPNFXPREPFACRS-UHFFFAOYSA-N
XLogP1.06
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 109462913
2-methyl-1-(3-methylbutyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910773
2-methyl-1-[(4-methylphenyl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909703
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111909657
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine;hydroiodide
CID 111910502
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910506
N,N-dimethyl-2-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]acetamide
CID 119149781
tert-butyl N-[2-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]carbamate
CID 111911081
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909705
1-[(2-methoxyphenyl)methyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909699
1-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910478
1-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111911017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine?
The IUPAC name of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine (CID 111910545) is 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine.
What is the SMILES notation for 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine?
The canonical SMILES for 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine?
The InChIKey is MPNFXPREPFACRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-10-17-15(16-2)18-13-9-11-19(12-13)14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3,(H2,16,17,18).
What are the key properties of 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine?
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine has a molecular weight of 256.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine is sourced from PubChem (CID 111910545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).