1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine

C6H12N4 — CID 90839193

IUPAC1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine
SMILES[H]/N=C(\N=C)N(C)/N=C\CC
InChIInChI=1S/C6H12N4/c1-4-5-9-10(3)6(7)8-2/h5,7H,2,4H2,1,3H3/b7-6+,9-5-
InChIKeyRIYDYDVYSAJHMV-MTNQHGNXSA-N
MW140.19 g/mol
LogP0.95
Rot. Bonds2

About 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine

1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine (PubChem CID 90839193) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine.

Molecular Properties

Compound Name1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine
PubChem CID90839193
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine
SMILES[H]/N=C(\N=C)N(C)/N=C\CC
InChIInChI=1S/C6H12N4/c1-4-5-9-10(3)6(7)8-2/h5,7H,2,4H2,1,3H3/b7-6+,9-5-
InChIKeyRIYDYDVYSAJHMV-MTNQHGNXSA-N
XLogP0.95
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
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-ethyl-1-methyl-3-methylideneguanidine
CID 59950676
N-methyl-N-[(E)-propylideneamino]morpholine-4-carboximidamide
CID 89153018
1-[dihydroxy(methyl)-λ4-sulfanyl]-1-methyl-3-methylideneguanidine
CID 144700941
ethane;1-methyl-3-methylidene-1-[(2S)-pentan-2-yl]guanidine;2-methylprop-1-ene
CID 143987193
N-methyl-N-(propylideneamino)hexa-1,3,5-trien-2-amine
CID 123468656
(Z)-5-[[(E)-3-fluorobut-3-enylideneamino]-methylamino]-3-iminohept-4-en-2-one
CID 122663551
carbonic acid;1-methyl-1-(pentylideneamino)guanidine
CID 129017295
N-amino-N-[(Z)-propylideneamino]methanamine
CID 146181001
1,1-dimethyl-3-prop-2-enylideneguanidine
CID 173495661
(Z)-N-ethyl-3-imino-N-methyl-1-(methylideneamino)prop-1-en-1-amine
CID 90453488
N'-ethenyl-N'-[(Z)-propylideneamino]ethane-1,2-diamine
CID 143110172
2-(propylideneamino)prop-2-enenitrile
CID 90933430

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine?
The IUPAC name of 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine (CID 90839193) is 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine.
What is the SMILES notation for 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine?
The canonical SMILES for 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine is [H]/N=C(\N=C)N(C)/N=C\CC.
What is the InChIKey of 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine?
The InChIKey is RIYDYDVYSAJHMV-MTNQHGNXSA-N. The full InChI is InChI=1S/C6H12N4/c1-4-5-9-10(3)6(7)8-2/h5,7H,2,4H2,1,3H3/b7-6+,9-5-.
What are the key properties of 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine?
1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine has a molecular weight of 140.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidene-1-[(Z)-propylideneamino]guanidine is sourced from PubChem (CID 90839193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).