1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine

C18H36N4 — CID 111992501

IUPAC1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H36N4/c1-4-15(5-2)14-20-18(19-3)21-16-10-12-22(13-11-16)17-8-6-7-9-17/h15-17H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyIAWRFLNSFJLOND-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.99
Rot. Bonds6

About 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine

1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine (PubChem CID 111992501) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
PubChem CID111992501
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine
SMILESCCC(CC)CN/C(=N\C)NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H36N4/c1-4-15(5-2)14-20-18(19-3)21-16-10-12-22(13-11-16)17-8-6-7-9-17/h15-17H,4-14H2,1-3H3,(H2,19,20,21)
InChIKeyIAWRFLNSFJLOND-UHFFFAOYSA-N
XLogP2.99
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.99
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'}

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Related Compounds

1-(2-ethylbutyl)-2-methyl-3-(1-phenylpiperidin-4-yl)guanidine
CID 111993567
2-[4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
CID 111991714
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-phenylsulfanylpropyl)guanidine
CID 111991467
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119154002
1-cyclobutyl-3-(1-cyclopropylpiperidin-4-yl)-2-methylguanidine
CID 119153758
1-(1-cyclopentylpiperidin-4-yl)-3-[(2-hydroxycyclopentyl)methyl]-2-methylguanidine;hydroiodide
CID 119155172
1-(2-ethylbutyl)-2-methyl-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111998230
1-(2-ethylbutyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111891458
1-(1-cyclopentylpiperidin-4-yl)-2-methyl-3-(2-thiomorpholin-4-ylethyl)guanidine
CID 119153800
N-[2-[[N-(1-cyclohexylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111998479
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine
CID 111919093
1-(cyclopentylmethyl)-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 119150585

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine (CID 111992501) is 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine is CCC(CC)CN/C(=N\C)NC1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine?
The InChIKey is IAWRFLNSFJLOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-4-15(5-2)14-20-18(19-3)21-16-10-12-22(13-11-16)17-8-6-7-9-17/h15-17H,4-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine?
1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine has a molecular weight of 308.51 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)-3-(2-ethylbutyl)-2-methylguanidine is sourced from PubChem (CID 111992501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).