N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide

C17H27N3 — CID 110935446

IUPACN'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C17H27N3/c1-18-17(20-14-8-9-15-20)19-13-7-3-6-12-16-10-4-2-5-11-16/h2,4-5,10-11H,3,6-9,12-15H2,1H3,(H,18,19)
InChIKeyPCRFJDWUFHUIAQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.07
Rot. Bonds6

About N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide

N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide (PubChem CID 110935446) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide
PubChem CID110935446
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCCCCc1ccccc1)N1CCCC1
InChIInChI=1S/C17H27N3/c1-18-17(20-14-8-9-15-20)19-13-7-3-6-12-16-10-4-2-5-11-16/h2,4-5,10-11H,3,6-9,12-15H2,1H3,(H,18,19)
InChIKeyPCRFJDWUFHUIAQ-UHFFFAOYSA-N
XLogP3.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
N'-methyl-N-[4-(4-nitrophenyl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111444456
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
N'-methyl-N-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboximidamide
CID 111424494
4-benzyl-N'-methyl-N-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide;hydroiodide
CID 110959674
N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111724300
N',4-dimethyl-N-(2-phenylethyl)piperidine-1-carboximidamide
CID 111211565
ethyl 1-[N'-methyl-N-(3-phenylpropyl)carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994036
N-(2-benzylsulfinylethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119135676
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-phenylpentyl)guanidine
CID 111929397
N',3,5-trimethyl-N-[4-(2-phenylethoxy)butyl]piperidine-1-carboximidamide
CID 111153799
N-[4-(2-bromophenyl)sulfanylbutyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111414899

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide (CID 110935446) is N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide is C/N=C(/NCCCCCc1ccccc1)N1CCCC1.
What is the InChIKey of N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide?
The InChIKey is PCRFJDWUFHUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-18-17(20-14-8-9-15-20)19-13-7-3-6-12-16-10-4-2-5-11-16/h2,4-5,10-11H,3,6-9,12-15H2,1H3,(H,18,19).
What are the key properties of N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide?
N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110935446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).