N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide

C14H22N6 — CID 123594208

IUPACN'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESNCCc1ccc(/N=C(\N)N=C(N)N2CCCC2)cc1
InChIInChI=1S/C14H22N6/c15-8-7-11-3-5-12(6-4-11)18-13(16)19-14(17)20-9-1-2-10-20/h3-6H,1-2,7-10,15H2,(H4,16,17,18,19)
InChIKeyRFUOPIKONRWLDE-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.54
Rot. Bonds3

About N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide

N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide (PubChem CID 123594208) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
PubChem CID123594208
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
SMILESNCCc1ccc(/N=C(\N)N=C(N)N2CCCC2)cc1
InChIInChI=1S/C14H22N6/c15-8-7-11-3-5-12(6-4-11)18-13(16)19-14(17)20-9-1-2-10-20/h3-6H,1-2,7-10,15H2,(H4,16,17,18,19)
InChIKeyRFUOPIKONRWLDE-UHFFFAOYSA-N
XLogP0.54
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
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

N'-[N'-(4-aminophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154058076
N'-[N'-(4-bromophenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 154012553
(2R,6S)-N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]-2,6-dimethylpiperidine-1-carboximidamide
CID 118045643
(2R,6S)-N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]-2,6-dimethylpiperidine-1-carboximidamide
CID 123872855
(2S,6R)-N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]-2,6-dimethylpiperidine-1-carboximidamide;hydrochloride
CID 162335340
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
4-[[amino-[(Z)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]benzenesulfonic acid;hydrochloride
CID 156631539
N'-[N'-(4-methylsulfanylphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 141426691
N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
CID 78092899
N'-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]azetidine-1-carboximidamide;hydrochloride
CID 172724102
N'-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]azepane-1-carboximidamide;hydrochloride
CID 162311545

Frequently Asked Questions

What is the IUPAC name of N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide (CID 123594208) is N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide is NCCc1ccc(/N=C(\N)N=C(N)N2CCCC2)cc1.
What is the InChIKey of N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide?
The InChIKey is RFUOPIKONRWLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c15-8-7-11-3-5-12(6-4-11)18-13(16)19-14(17)20-9-1-2-10-20/h3-6H,1-2,7-10,15H2,(H4,16,17,18,19).
What are the key properties of N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide?
N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide has a molecular weight of 274.37 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-[4-(2-aminoethyl)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 123594208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).