N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide

C7H15N5 — CID 71514572

IUPACN-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/N=C(N)N)N1CCCC1
InChIInChI=1S/C7H15N5/c1-10-7(11-6(8)9)12-4-2-3-5-12/h2-5H2,1H3,(H4,8,9,10,11)
InChIKeyLLSFCXVCVNEQQD-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.66
Rot. Bonds

About N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 71514572) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide
PubChem CID71514572
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC NameN-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(/N=C(N)N)N1CCCC1
InChIInChI=1S/C7H15N5/c1-10-7(11-6(8)9)12-4-2-3-5-12/h2-5H2,1H3,(H4,8,9,10,11)
InChIKeyLLSFCXVCVNEQQD-UHFFFAOYSA-N
XLogP-0.66
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(Aminoiminomethyl)-1-pyrrolidinecarboximidamide
CID 202356
Pyrrolidine-1-carboximidamide
CID 2794597
N'-carbamimidoylpyrrolidine-1-carboximidamide;hydrochloride
CID 176527975
1-Pyrrolidinecarboximidamide, N-(aminoiminomethyl)-, monohydrochloride
CID 202355
N'-carbamimidoylpyrrolidine-1-carboximidamide
CID 137346477
N'-carbamimidoyl-3,3-difluoropyrrolidine-1-carboximidamide
CID 122656959
CID 140856343
CID 140856343
1,1-dibutyl-2-(N'-butylcarbamimidoyl)guanidine
CID 9570964
3,3-difluoro-N'-propylpyrrolidine-1-carboximidamide
CID 130631724
N'-ethyl-3,3-difluoropyrrolidine-1-carboximidamide
CID 130655811
3,3-difluoro-N'-methylpyrrolidine-1-carboximidamide
CID 130698616
N'-(2-fluoroethyl)pyrrolidine-1-carboximidamide
CID 130742355

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide (CID 71514572) is N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide is C/N=C(/N=C(N)N)N1CCCC1.
What is the InChIKey of N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is LLSFCXVCVNEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-10-7(11-6(8)9)12-4-2-3-5-12/h2-5H2,1H3,(H4,8,9,10,11).
What are the key properties of N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 71514572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).