methane;1-(propan-2-ylideneamino)guanidine

C5H14N4 — CID 176546052

IUPACmethane;1-(propan-2-ylideneamino)guanidine
SMILESC.[H]/N=C(\N)NN=C(C)C
InChIInChI=1S/C4H10N4.CH4/c1-3(2)7-8-4(5)6;/h1-2H3,(H4,5,6,8);1H4
InChIKeyRFYYWJLHQZLCSG-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.50
Rot. Bonds1

About methane;1-(propan-2-ylideneamino)guanidine

methane;1-(propan-2-ylideneamino)guanidine (PubChem CID 176546052) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is methane;1-(propan-2-ylideneamino)guanidine.

Molecular Properties

Compound Namemethane;1-(propan-2-ylideneamino)guanidine
PubChem CID176546052
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Namemethane;1-(propan-2-ylideneamino)guanidine
SMILESC.[H]/N=C(\N)NN=C(C)C
InChIInChI=1S/C4H10N4.CH4/c1-3(2)7-8-4(5)6;/h1-2H3,(H4,5,6,8);1H4
InChIKeyRFYYWJLHQZLCSG-UHFFFAOYSA-N
XLogP0.50
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.50
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine
CID 176525594
1-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176519322
1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176528393
1-carbamimidoylguanidine;methane
CID 176544517
(propan-2-ylideneamino)urea;sulfane;urea
CID 174867107
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
2-carbamimidamido-1-ethoxy-1-propoxyguanidine
CID 176541169
N'-[3-[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]-5-[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-N-[3-[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]-5-[(Z)-C-methyl-N-(methylamino)carbonimidoyl]phenyl]oxamide
CID 176917445
1-N-[3,5-bis[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-3-N-[3-[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]-5-[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-5-N-methylbenzene-1,3,5-tricarboxamide
CID 176917455
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
1-carbamimidamidoguanidine;hydrobromide
CID 176518952

Frequently Asked Questions

What is the IUPAC name of methane;1-(propan-2-ylideneamino)guanidine?
The IUPAC name of methane;1-(propan-2-ylideneamino)guanidine (CID 176546052) is methane;1-(propan-2-ylideneamino)guanidine.
What is the SMILES notation for methane;1-(propan-2-ylideneamino)guanidine?
The canonical SMILES for methane;1-(propan-2-ylideneamino)guanidine is C.[H]/N=C(\N)NN=C(C)C.
What is the InChIKey of methane;1-(propan-2-ylideneamino)guanidine?
The InChIKey is RFYYWJLHQZLCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4.CH4/c1-3(2)7-8-4(5)6;/h1-2H3,(H4,5,6,8);1H4.
What are the key properties of methane;1-(propan-2-ylideneamino)guanidine?
methane;1-(propan-2-ylideneamino)guanidine has a molecular weight of 130.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(propan-2-ylideneamino)guanidine is sourced from PubChem (CID 176546052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).