N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide

C15H29N3 — CID 55160168

IUPACN'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
SMILESCC(C/N=C(\N)C1CCCCC1)CN1CCCC1
InChIInChI=1S/C15H29N3/c1-13(12-18-9-5-6-10-18)11-17-15(16)14-7-3-2-4-8-14/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyGSOSYGUZQCZPGZ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.66
Rot. Bonds5

About N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide

N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide (PubChem CID 55160168) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide.

Molecular Properties

Compound NameN'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
PubChem CID55160168
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
SMILESCC(C/N=C(\N)C1CCCCC1)CN1CCCC1
InChIInChI=1S/C15H29N3/c1-13(12-18-9-5-6-10-18)11-17-15(16)14-7-3-2-4-8-14/h13-14H,2-12H2,1H3,(H2,16,17)
InChIKeyGSOSYGUZQCZPGZ-UHFFFAOYSA-N
XLogP2.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.66
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

1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 83035522
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
CID 63181616
N'-(2-piperidin-1-ylethyl)cyclohexanecarboximidamide
CID 63176513
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
1,1,3,3-tetramethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070254
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
N'-(3-methyl-2-propan-2-ylbutyl)cyclopropanecarboximidamide
CID 102908263
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
CID 77041248
N-ethyl-N'-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444302
1-(3,5-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074656
4-methyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110927363

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide?
The IUPAC name of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide (CID 55160168) is N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide.
What is the SMILES notation for N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide?
The canonical SMILES for N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide is CC(C/N=C(\N)C1CCCCC1)CN1CCCC1.
What is the InChIKey of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide?
The InChIKey is GSOSYGUZQCZPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-13(12-18-9-5-6-10-18)11-17-15(16)14-7-3-2-4-8-14/h13-14H,2-12H2,1H3,(H2,16,17).
What are the key properties of N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide?
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide has a molecular weight of 251.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide is sourced from PubChem (CID 55160168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).