N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide

C7H15N5O — CID 103534594

IUPACN-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(OC)C1
InChIInChI=1S/C7H15N5O/c1-13-5-2-3-12(4-5)7(10)11-6(8)9/h5H,2-4H2,1H3,(H5,8,9,10,11)
InChIKeyNBWLQWXSPWGGJL-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.08
Rot. Bonds1

About N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide

N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide (PubChem CID 103534594) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
PubChem CID103534594
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC NameN-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(OC)C1
InChIInChI=1S/C7H15N5O/c1-13-5-2-3-12(4-5)7(10)11-6(8)9/h5H,2-4H2,1H3,(H5,8,9,10,11)
InChIKeyNBWLQWXSPWGGJL-UHFFFAOYSA-N
XLogP-1.08
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.08
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

(3S)-3-methoxypyrrolidine-1-carboximidamide
CID 89794542
(3R)-3-methoxypyrrolidine-1-carboximidamide
CID 89794543
(3S)-3-[(2-methylpropan-2-yl)oxy]pyrrolidine-1-carboximidamide
CID 117981667
3-methoxy-N'-methyl-N-methylidenepyrrolidine-1-carboximidamide
CID 123840537
2-Imino-5-methyl-1,3-oxazolidine-3-carboximidamide
CID 55290778
3-methoxy-N'-methylpyrrolidine-1-carboximidamide
CID 103534592
3-methoxy-N'-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 103534593
3-methoxy-N'-propylpyrrolidine-1-carboximidamide
CID 103534595
N'-cyclopropyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534596
N'-ethyl-3-methoxypyrrolidine-1-carboximidamide
CID 103534599
3-methoxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 103534600
N'-amino-3-methoxypyrrolidine-1-carboximidamide
CID 103534601

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide (CID 103534594) is N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(OC)C1.
What is the InChIKey of N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide?
The InChIKey is NBWLQWXSPWGGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5O/c1-13-5-2-3-12(4-5)7(10)11-6(8)9/h5H,2-4H2,1H3,(H5,8,9,10,11).
What are the key properties of N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide has a molecular weight of 185.23 g/mol, XLogP of -1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-methoxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 103534594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).