2-methyl-1-[(E)-propylideneamino]guanidine

C5H12N4 — CID 55300365

IUPAC2-methyl-1-[(E)-propylideneamino]guanidine
SMILESCC/C=N/N/C(N)=N/C
InChIInChI=1S/C5H12N4/c1-3-4-8-9-5(6)7-2/h4H,3H2,1-2H3,(H3,6,7,9)/b8-4+
InChIKeyIZJWKQSHMMTJBU-XBXARRHUSA-N
MW128.18 g/mol
LogP-0.08
Rot. Bonds2

About 2-methyl-1-[(E)-propylideneamino]guanidine

2-methyl-1-[(E)-propylideneamino]guanidine (PubChem CID 55300365) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 2-methyl-1-[(E)-propylideneamino]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(E)-propylideneamino]guanidine
PubChem CID55300365
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name2-methyl-1-[(E)-propylideneamino]guanidine
SMILESCC/C=N/N/C(N)=N/C
InChIInChI=1S/C5H12N4/c1-3-4-8-9-5(6)7-2/h4H,3H2,1-2H3,(H3,6,7,9)/b8-4+
InChIKeyIZJWKQSHMMTJBU-XBXARRHUSA-N
XLogP-0.08
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.08
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

Hydrazinecarboximidamide, 2,2'-(1-methyl-1,2-ethanediyldene)bis(N-methyl-
CID 9561640
Methylglyoxal bis(butylamidinohydrazone)
CID 9576807
Di-N',N''-methylglyoxal bis(guanylhydrazone)
CID 9578322
Methylglyoxal bis(butylamidino-hydrazone)
CID 57352300
Hydrazinecarboximidamide, 2,2'-(1-methyl-1,2-ethanediylidene)bis(N-methyl-, hydriodide
CID 9577139
1,2-dimethyl-1-[(E)-propylideneamino]guanidine
CID 18740789
1-[(E)-butan-2-ylideneamino]-2-methylguanidine
CID 55285164
2-methyl-1-[(E)-3-methylbutylideneamino]guanidine
CID 57589752
2-methyl-1-[(E)-2-methylpropylideneamino]guanidine
CID 57589788
1-[(E)-2,2-dimethylpropylideneamino]-2-methylguanidine
CID 57838309
1,2-bis[(Z)-ethylideneamino]guanidine
CID 59268401
1-(Butan-2-ylideneamino)-2-methylguanidine
CID 73190517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-propylideneamino]guanidine?
The IUPAC name of 2-methyl-1-[(E)-propylideneamino]guanidine (CID 55300365) is 2-methyl-1-[(E)-propylideneamino]guanidine.
What is the SMILES notation for 2-methyl-1-[(E)-propylideneamino]guanidine?
The canonical SMILES for 2-methyl-1-[(E)-propylideneamino]guanidine is CC/C=N/N/C(N)=N/C.
What is the InChIKey of 2-methyl-1-[(E)-propylideneamino]guanidine?
The InChIKey is IZJWKQSHMMTJBU-XBXARRHUSA-N. The full InChI is InChI=1S/C5H12N4/c1-3-4-8-9-5(6)7-2/h4H,3H2,1-2H3,(H3,6,7,9)/b8-4+.
What are the key properties of 2-methyl-1-[(E)-propylideneamino]guanidine?
2-methyl-1-[(E)-propylideneamino]guanidine has a molecular weight of 128.18 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-propylideneamino]guanidine is sourced from PubChem (CID 55300365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).