N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane

C7H18N4 — CID 178136818

IUPACN'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane
SMILESCC.CC/C(N)=N/N=C(/C)N
InChIInChI=1S/C5H12N4.C2H6/c1-3-5(7)9-8-4(2)6;1-2/h3H2,1-2H3,(H2,6,8)(H2,7,9);1-2H3
InChIKeyNQAWLDYUDVPAMU-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.07
Rot. Bonds2

About N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane

N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane (PubChem CID 178136818) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane.

Molecular Properties

Compound NameN'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane
PubChem CID178136818
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC NameN'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane
SMILESCC.CC/C(N)=N/N=C(/C)N
InChIInChI=1S/C5H12N4.C2H6/c1-3-5(7)9-8-4(2)6;1-2/h3H2,1-2H3,(H2,6,8)(H2,7,9);1-2H3
InChIKeyNQAWLDYUDVPAMU-UHFFFAOYSA-N
XLogP1.07
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N'-[(Z)-1-aminoethylideneamino]ethanimidamide;ethane
CID 143420874
N'-[(Z)-1-aminoethylideneamino]propanimidamide;2-[(2-amino-2-oxoethyl)-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ethane;ethene
CID 153357994
N'-(propan-2-ylideneamino)ethanimidamide
CID 85440843
ethane;N'-hydrazinylpropanimidamide
CID 142272507
ethane;N'-propylethanimidamide
CID 156797871
1-aminopropylidenecarbamic acid
CID 54134440
N'-[(Z)-1-aminopropylideneamino]-3,5-dimethylpyrazole-1-carboximidamide
CID 145003152
N-(propan-2-ylideneamino)butan-2-imine
CID 59062083
1-(butan-2-ylideneamino)-2-[(E)-butan-2-ylideneamino]guanidine;hydroiodide
CID 45048526
(butan-2-ylideneamino) carbamate
CID 54343836
N'-pentylpropanimidamide
CID 62047571
N'-propanimidoylpropanimidamide
CID 58804639

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane?
The IUPAC name of N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane (CID 178136818) is N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane.
What is the SMILES notation for N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane?
The canonical SMILES for N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane is CC.CC/C(N)=N/N=C(/C)N.
What is the InChIKey of N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane?
The InChIKey is NQAWLDYUDVPAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4.C2H6/c1-3-5(7)9-8-4(2)6;1-2/h3H2,1-2H3,(H2,6,8)(H2,7,9);1-2H3.
What are the key properties of N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane?
N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane has a molecular weight of 158.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane is sourced from PubChem (CID 178136818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).