N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide

C8H17N5O2 — CID 103534607

IUPACN-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H17N5O2/c1-14-5-3-13(4-6(5)15-2)8(11)12-7(9)10/h5-6H,3-4H2,1-2H3,(H5,9,10,11,12)
InChIKeyIDCMIVHBXKNNLK-UHFFFAOYSA-N
MW215.26 g/mol
LogP-1.46
Rot. Bonds2

About N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide

N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide (PubChem CID 103534607) has the molecular formula C8H17N5O2 and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
PubChem CID103534607
Molecular FormulaC8H17N5O2
Molecular Weight215.26 g/mol
Exact Mass215.14
IUPAC NameN-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC(OC)C(OC)C1
InChIInChI=1S/C8H17N5O2/c1-14-5-3-13(4-6(5)15-2)8(11)12-7(9)10/h5-6H,3-4H2,1-2H3,(H5,9,10,11,12)
InChIKeyIDCMIVHBXKNNLK-UHFFFAOYSA-N
XLogP-1.46
TPSA109.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
N,3-dibutyl-5-(methoxymethyl)-1,3-oxazolidin-2-imine
CID 14268559
3-(Diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 83032025
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534593
N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
CID 103534594
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534600
3-Methoxypyrrolidine-1-carboximidamide
CID 103534603
N'-tert-butyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534604

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide (CID 103534607) is N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CC(OC)C(OC)C1.
What is the InChIKey of N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide?
The InChIKey is IDCMIVHBXKNNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5O2/c1-14-5-3-13(4-6(5)15-2)8(11)12-7(9)10/h5-6H,3-4H2,1-2H3,(H5,9,10,11,12).
What are the key properties of N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide has a molecular weight of 215.26 g/mol, XLogP of -1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3,4-dimethoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).