1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

C10H22N6 — CID 83035522

IUPAC1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCC(C/N=C(\N)N=C(N)N)CN1CCCC1
InChIInChI=1S/C10H22N6/c1-8(7-16-4-2-3-5-16)6-14-10(13)15-9(11)12/h8H,2-7H2,1H3,(H6,11,12,13,14,15)
InChIKeyXCQKLVJEKYBJIA-UHFFFAOYSA-N
MW226.33 g/mol
LogP-0.69
Rot. Bonds4

About 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 83035522) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID83035522
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC Name1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCC(C/N=C(\N)N=C(N)N)CN1CCCC1
InChIInChI=1S/C10H22N6/c1-8(7-16-4-2-3-5-16)6-14-10(13)15-9(11)12/h8H,2-7H2,1H3,(H6,11,12,13,14,15)
InChIKeyXCQKLVJEKYBJIA-UHFFFAOYSA-N
XLogP-0.69
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 5-0.69
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'-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexanecarboximidamide
CID 55160168
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
1,1,3,3-tetramethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070254
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
CID 63181616
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
N'-(2-methyl-3-piperidin-1-ylpropyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 75534648
1-(3,5-dimethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070226
1-(4-ethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070246
1-(3,5-dimethylphenyl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074656
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111002635
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine
CID 111070322
1-amino-3-(1-methoxypropan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 104885769

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (CID 83035522) is 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is CC(C/N=C(\N)N=C(N)N)CN1CCCC1.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is XCQKLVJEKYBJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-8(7-16-4-2-3-5-16)6-14-10(13)15-9(11)12/h8H,2-7H2,1H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 226.33 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 83035522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).