1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine

C19H37N5 — CID 111919841

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(\NCCN(C(C)C)C1CC1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H37N5/c1-15(2)24(18-8-9-18)13-11-21-19(20-3)22-16-10-12-23(14-16)17-6-4-5-7-17/h15-18H,4-14H2,1-3H3,(H2,20,21,22)
InChIKeyYRMYQRBFKSYFBA-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.04
Rot. Bonds7

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine

1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine (PubChem CID 111919841) has the molecular formula C19H37N5 and a molecular weight of 335.54 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
PubChem CID111919841
Molecular FormulaC19H37N5
Molecular Weight335.54 g/mol
Exact Mass335.30
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
SMILESC/N=C(\NCCN(C(C)C)C1CC1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H37N5/c1-15(2)24(18-8-9-18)13-11-21-19(20-3)22-16-10-12-23(14-16)17-6-4-5-7-17/h15-18H,4-14H2,1-3H3,(H2,20,21,22)
InChIKeyYRMYQRBFKSYFBA-UHFFFAOYSA-N
XLogP2.04
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.04
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-cyclopentyl-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine
CID 110992105
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine;hydroiodide
CID 111918210
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111918596
1-[3-[cyclohexyl(methyl)amino]propyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111918362
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111919445
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(2-methylpropoxy)ethyl]guanidine;hydroiodide
CID 111919454
N-[2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111919867
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111919902
2-[[N-(1-cyclopentylpyrrolidin-3-yl)-N'-methylcarbamimidoyl]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119150643
1-(1-cyclopentylpyrrolidin-3-yl)-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111919848
1-(1-cyclopentylpyrrolidin-3-yl)-2,3-dimethylguanidine
CID 119125154

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine (CID 111919841) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine is C/N=C(\NCCN(C(C)C)C1CC1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine?
The InChIKey is YRMYQRBFKSYFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5/c1-15(2)24(18-8-9-18)13-11-21-19(20-3)22-16-10-12-23(14-16)17-6-4-5-7-17/h15-18H,4-14H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine has a molecular weight of 335.54 g/mol, XLogP of 2.04, 7 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)-3-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 111919841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).