2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine

C14H22N6 — CID 130558815

IUPAC2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine
SMILESCC1C(/N=C(\N)N=C(N)N)CCN1Cc1ccccc1
InChIInChI=1S/C14H22N6/c1-10-12(18-14(17)19-13(15)16)7-8-20(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H6,15,16,17,18,19)
InChIKeyMUCCCKLJIJUHDY-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.24
Rot. Bonds3

About 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine

2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine (PubChem CID 130558815) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine
PubChem CID130558815
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine
SMILESCC1C(/N=C(\N)N=C(N)N)CCN1Cc1ccccc1
InChIInChI=1S/C14H22N6/c1-10-12(18-14(17)19-13(15)16)7-8-20(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H6,15,16,17,18,19)
InChIKeyMUCCCKLJIJUHDY-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
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'-(1-benzyl-2-methylpyrrolidin-3-yl)propanimidamide
CID 130559040
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
CID 130559150
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
2-(1-benzyl-2-methylpiperidin-3-yl)ethanamine
CID 83850522
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[(2S,3R,4S)-1-benzyl-2,3-dimethylpiperidin-4-yl] acetate
CID 715182

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine (CID 130558815) is 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine is CC1C(/N=C(\N)N=C(N)N)CCN1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine?
The InChIKey is MUCCCKLJIJUHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10-12(18-14(17)19-13(15)16)7-8-20(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H6,15,16,17,18,19).
What are the key properties of 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine?
2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine has a molecular weight of 274.37 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-methylpyrrolidin-3-yl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 130558815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).