1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine

C20H39N5 — CID 111919093

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)CN1CCCCC1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C20H39N5/c1-17(15-24-11-6-3-7-12-24)14-22-20(21-2)23-18-10-13-25(16-18)19-8-4-5-9-19/h17-19H,3-16H2,1-2H3,(H2,21,22,23)
InChIKeySUMRUZYSWBKDOY-UHFFFAOYSA-N
MW349.57 g/mol
LogP2.29
Rot. Bonds6

About 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine

1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine (PubChem CID 111919093) has the molecular formula C20H39N5 and a molecular weight of 349.57 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
PubChem CID111919093
Molecular FormulaC20H39N5
Molecular Weight349.57 g/mol
Exact Mass349.32
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
SMILESC/N=C(\NCC(C)CN1CCCCC1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C20H39N5/c1-17(15-24-11-6-3-7-12-24)14-22-20(21-2)23-18-10-13-25(16-18)19-8-4-5-9-19/h17-19H,3-16H2,1-2H3,(H2,21,22,23)
InChIKeySUMRUZYSWBKDOY-UHFFFAOYSA-N
XLogP2.29
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.57
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-cyclohexyl-2-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 110959056
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318645
1-(1-cyclopentylpyrrolidin-3-yl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111918238
1-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidin-3-amine
CID 62982179
1-cyclohexyl-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 110959061
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119154002
1-cyclohexyl-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110959060
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111919902
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111918596
2-methyl-1-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111528107
2-methyl-1-(2-methylcyclopropyl)-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111961781
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine (CID 111919093) is 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine is C/N=C(\NCC(C)CN1CCCCC1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
The InChIKey is SUMRUZYSWBKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5/c1-17(15-24-11-6-3-7-12-24)14-22-20(21-2)23-18-10-13-25(16-18)19-8-4-5-9-19/h17-19H,3-16H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine has a molecular weight of 349.57 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine is sourced from PubChem (CID 111919093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).