2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine

C13H26N4 — CID 55063864

IUPAC2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESCN1CCC(N(C)/C(N)=N/C2CCCC2)CC1
InChIInChI=1S/C13H26N4/c1-16-9-7-12(8-10-16)17(2)13(14)15-11-5-3-4-6-11/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyYFKXDUOZRGMSFO-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.27
Rot. Bonds2

About 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine

2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine (PubChem CID 55063864) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
PubChem CID55063864
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
SMILESCN1CCC(N(C)/C(N)=N/C2CCCC2)CC1
InChIInChI=1S/C13H26N4/c1-16-9-7-12(8-10-16)17(2)13(14)15-11-5-3-4-6-11/h11-12H,3-10H2,1-2H3,(H2,14,15)
InChIKeyYFKXDUOZRGMSFO-UHFFFAOYSA-N
XLogP1.27
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.27
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-cyclopropyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 62360654
1,2-dicyclopropyl-1-methylguanidine
CID 62359014
2-cyclopropyl-1-methyl-1-(2-methylcyclohexyl)guanidine
CID 62364792
1-cyclopropyl-1-methyl-2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110030671
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 43189380
2-cyclopropyl-1-methyl-1-(oxolan-3-yl)guanidine
CID 78967151
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
1-cyclopropyl-1-methyl-2-(3-propan-2-yloxycyclobutyl)guanidine
CID 122098510
tert-butyl 4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]cyclohexane-1-carboxylate
CID 110031868
N-(1-methylpiperidin-4-yl)propan-2-imine
CID 123600860
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The IUPAC name of 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine (CID 55063864) is 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine is CN1CCC(N(C)/C(N)=N/C2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
The InChIKey is YFKXDUOZRGMSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-16-9-7-12(8-10-16)17(2)13(14)15-11-5-3-4-6-11/h11-12H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine?
2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine has a molecular weight of 238.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-methyl-1-(1-methylpiperidin-4-yl)guanidine is sourced from PubChem (CID 55063864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).