N,N'-diamino-2-methylcyclopentane-1-carboximidamide

C7H16N4 — CID 145488395

IUPACN,N'-diamino-2-methylcyclopentane-1-carboximidamide
SMILESCC1CCCC1/C(=N/N)NN
InChIInChI=1S/C7H16N4/c1-5-3-2-4-6(5)7(10-8)11-9/h5-6H,2-4,8-9H2,1H3,(H,10,11)
InChIKeyINZZUAUVGFKJBO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.16
Rot. Bonds1

About N,N'-diamino-2-methylcyclopentane-1-carboximidamide

N,N'-diamino-2-methylcyclopentane-1-carboximidamide (PubChem CID 145488395) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N,N'-diamino-2-methylcyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-2-methylcyclopentane-1-carboximidamide
PubChem CID145488395
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN,N'-diamino-2-methylcyclopentane-1-carboximidamide
SMILESCC1CCCC1/C(=N/N)NN
InChIInChI=1S/C7H16N4/c1-5-3-2-4-6(5)7(10-8)11-9/h5-6H,2-4,8-9H2,1H3,(H,10,11)
InChIKeyINZZUAUVGFKJBO-UHFFFAOYSA-N
XLogP0.16
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-2-methylcyclopentane-1-carboximidamide?
The IUPAC name of N,N'-diamino-2-methylcyclopentane-1-carboximidamide (CID 145488395) is N,N'-diamino-2-methylcyclopentane-1-carboximidamide.
What is the SMILES notation for N,N'-diamino-2-methylcyclopentane-1-carboximidamide?
The canonical SMILES for N,N'-diamino-2-methylcyclopentane-1-carboximidamide is CC1CCCC1/C(=N/N)NN.
What is the InChIKey of N,N'-diamino-2-methylcyclopentane-1-carboximidamide?
The InChIKey is INZZUAUVGFKJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-5-3-2-4-6(5)7(10-8)11-9/h5-6H,2-4,8-9H2,1H3,(H,10,11).
What are the key properties of N,N'-diamino-2-methylcyclopentane-1-carboximidamide?
N,N'-diamino-2-methylcyclopentane-1-carboximidamide has a molecular weight of 156.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-methylcyclopentane-1-carboximidamide is sourced from PubChem (CID 145488395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).