1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine

C9H17N5 — CID 123187756

IUPAC1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
SMILESC=CC(=C)CCN/C(N=C(N)N)=N\C
InChIInChI=1S/C9H17N5/c1-4-7(2)5-6-13-9(12-3)14-8(10)11/h4H,1-2,5-6H2,3H3,(H5,10,11,12,13,14)
InChIKeyZJPBMAPBYBLECR-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.03
Rot. Bonds4

About 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine

1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine (PubChem CID 123187756) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
PubChem CID123187756
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
SMILESC=CC(=C)CCN/C(N=C(N)N)=N\C
InChIInChI=1S/C9H17N5/c1-4-7(2)5-6-13-9(12-3)14-8(10)11/h4H,1-2,5-6H2,3H3,(H5,10,11,12,13,14)
InChIKeyZJPBMAPBYBLECR-UHFFFAOYSA-N
XLogP-0.03
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1-(4-Aminobutyl)-3-but-3-en-1-ylguanidine
CID 137234568
N,N'-diisopentenylguanidine
CID 91369226
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
2-Methyl-1-(3-methylbut-3-enyl)guanidine
CID 130948714
6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 137154658
1,2-Dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
CID 142877495
1-Cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
CID 155719816
2-(Methylaminomethyl)-1-pent-4-en-2-ylguanidine
CID 173828307
4-[[N'-(3-methylbut-2-enyl)carbamimidoyl]amino]butylazanium
CID 21601572
1,2-Dimethyl-3-(2-methylpropyl)-1-pent-4-enylguanidine;hydroiodide
CID 109495992

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine (CID 123187756) is 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine is C=CC(=C)CCN/C(N=C(N)N)=N\C.
What is the InChIKey of 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine?
The InChIKey is ZJPBMAPBYBLECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-4-7(2)5-6-13-9(12-3)14-8(10)11/h4H,1-2,5-6H2,3H3,(H5,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine?
1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine has a molecular weight of 195.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine is sourced from PubChem (CID 123187756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).