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

C18H28N4 — CID 110030695

IUPAC1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESCN(/C(N)=N/CC1CCN(CCc2ccccc2)C1)C1CC1
InChIInChI=1S/C18H28N4/c1-21(17-7-8-17)18(19)20-13-16-10-12-22(14-16)11-9-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H2,19,20)
InChIKeyJLJPSLBKMAQMMA-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.96
Rot. Bonds6

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

1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine (PubChem CID 110030695) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
PubChem CID110030695
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
SMILESCN(/C(N)=N/CC1CCN(CCc2ccccc2)C1)C1CC1
InChIInChI=1S/C18H28N4/c1-21(17-7-8-17)18(19)20-13-16-10-12-22(14-16)11-9-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H2,19,20)
InChIKeyJLJPSLBKMAQMMA-UHFFFAOYSA-N
XLogP1.96
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.96
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'}

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Related Compounds

2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 110911444
1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
1-tert-butyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086847
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086827
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111086892
1-cyclopropyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 110030646
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111086899
1-cyclopropyl-1-methyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 110030642
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
N-ethyl-3-methyl-N'-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]piperidine-1-carboximidamide
CID 111144540
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-cyclopropyl-1-methylguanidine
CID 110031013
1-ethyl-3-(4-hydroxycyclohexyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111190685

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine (CID 110030695) is 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine is CN(/C(N)=N/CC1CCN(CCc2ccccc2)C1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
The InChIKey is JLJPSLBKMAQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-21(17-7-8-17)18(19)20-13-16-10-12-22(14-16)11-9-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H2,19,20).
What are the key properties of 1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine?
1-cyclopropyl-1-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine has a molecular weight of 300.45 g/mol, XLogP of 1.96, 6 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-(2-phenylethyl)pyrrolidin-3-yl]methyl]guanidine is sourced from PubChem (CID 110030695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).