1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine

C15H30N4 — CID 111055087

IUPAC1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESCCC(C/N=C(\N)NC1CCCCC1)N1CCCC1
InChIInChI=1S/C15H30N4/c1-2-14(19-10-6-7-11-19)12-17-15(16)18-13-8-4-3-5-9-13/h13-14H,2-12H2,1H3,(H3,16,17,18)
InChIKeyJEOPEWMMFNSTHI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.10
Rot. Bonds5

About 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine

1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine (PubChem CID 111055087) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
PubChem CID111055087
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
SMILESCCC(C/N=C(\N)NC1CCCCC1)N1CCCC1
InChIInChI=1S/C15H30N4/c1-2-14(19-10-6-7-11-19)12-17-15(16)18-13-8-4-3-5-9-13/h13-14H,2-12H2,1H3,(H3,16,17,18)
InChIKeyJEOPEWMMFNSTHI-UHFFFAOYSA-N
XLogP2.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.10
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-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine
CID 111056027
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055183
1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 110912532
1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110912531
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110030010
1-(3,5-dimethylphenyl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055095
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclopentyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 119117307
1,1-diethyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111055102
1-cyclopentyl-2-[2-(2-hydroxyethyl)pentyl]guanidine
CID 103711686

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine (CID 111055087) is 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine is CCC(C/N=C(\N)NC1CCCCC1)N1CCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
The InChIKey is JEOPEWMMFNSTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-2-14(19-10-6-7-11-19)12-17-15(16)18-13-8-4-3-5-9-13/h13-14H,2-12H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine?
1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine is sourced from PubChem (CID 111055087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).