N'-amino-N-[(Z)-ethylideneamino]propanimidamide

C5H12N4 — CID 174020108

IUPACN'-amino-N-[(Z)-ethylideneamino]propanimidamide
SMILESC/C=N\NC(CC)=NN
InChIInChI=1S/C5H12N4/c1-3-5(8-6)9-7-4-2/h4H,3,6H2,1-2H3,(H,8,9)/b7-4-
InChIKeyBMTCOZPLTAGXLV-DAXSKMNVSA-N
MW128.18 g/mol
LogP0.26
Rot. Bonds2

About N'-amino-N-[(Z)-ethylideneamino]propanimidamide

N'-amino-N-[(Z)-ethylideneamino]propanimidamide (PubChem CID 174020108) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is N'-amino-N-[(Z)-ethylideneamino]propanimidamide.

Molecular Properties

Compound NameN'-amino-N-[(Z)-ethylideneamino]propanimidamide
PubChem CID174020108
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC NameN'-amino-N-[(Z)-ethylideneamino]propanimidamide
SMILESC/C=N\NC(CC)=NN
InChIInChI=1S/C5H12N4/c1-3-5(8-6)9-7-4-2/h4H,3,6H2,1-2H3,(H,8,9)/b7-4-
InChIKeyBMTCOZPLTAGXLV-DAXSKMNVSA-N
XLogP0.26
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
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'-amino-N-[(Z)-ethylideneamino]propanimidamide?
The IUPAC name of N'-amino-N-[(Z)-ethylideneamino]propanimidamide (CID 174020108) is N'-amino-N-[(Z)-ethylideneamino]propanimidamide.
What is the SMILES notation for N'-amino-N-[(Z)-ethylideneamino]propanimidamide?
The canonical SMILES for N'-amino-N-[(Z)-ethylideneamino]propanimidamide is C/C=N\NC(CC)=NN.
What is the InChIKey of N'-amino-N-[(Z)-ethylideneamino]propanimidamide?
The InChIKey is BMTCOZPLTAGXLV-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H12N4/c1-3-5(8-6)9-7-4-2/h4H,3,6H2,1-2H3,(H,8,9)/b7-4-.
What are the key properties of N'-amino-N-[(Z)-ethylideneamino]propanimidamide?
N'-amino-N-[(Z)-ethylideneamino]propanimidamide has a molecular weight of 128.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-[(Z)-ethylideneamino]propanimidamide is sourced from PubChem (CID 174020108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).