N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide

C11H22N6 — CID 83036980

IUPACN-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C11H22N6/c12-10(13)15-11(14)17-7-4-9(8-17)16-5-2-1-3-6-16/h9H,1-8H2,(H5,12,13,14,15)
InChIKeyTWHZNFOKRZRDOA-UHFFFAOYSA-N
MW238.34 g/mol
LogP-0.25
Rot. Bonds1

About N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide

N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide (PubChem CID 83036980) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
PubChem CID83036980
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC NameN-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C11H22N6/c12-10(13)15-11(14)17-7-4-9(8-17)16-5-2-1-3-6-16/h9H,1-8H2,(H5,12,13,14,15)
InChIKeyTWHZNFOKRZRDOA-UHFFFAOYSA-N
XLogP-0.25
TPSA94.73 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-0.25
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-(diaminomethylidene)-4-hydroxy-3-methylpiperidine-1-carboximidamide
CID 114679013
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
3-(4-tert-butylphenyl)-N-(diaminomethylidene)pyrrolidine-1-carboximidamide
CID 145413346
1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-imine
CID 63181618
N'-hydroxy-4-piperidin-1-ylpiperidine-1-carboximidamide
CID 76944257
N-(diaminomethylidene)-4-(2-hydroxyethoxy)piperidine-1-carboximidamide
CID 83034907
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanimine
CID 79936937
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
4-amino-N'-(4-aminopiperidine-1-carboximidoyl)piperidine-1-carboximidamide
CID 123226101
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 78942270
N'-cyclopentyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboximidamide
CID 79934866
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide (CID 83036980) is N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide is [H]/N=C(\N=C(N)N)N1CCC(N2CCCCC2)C1.
What is the InChIKey of N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
The InChIKey is TWHZNFOKRZRDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c12-10(13)15-11(14)17-7-4-9(8-17)16-5-2-1-3-6-16/h9H,1-8H2,(H5,12,13,14,15).
What are the key properties of N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide?
N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide has a molecular weight of 238.34 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-piperidin-1-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 83036980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).