1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine

C8H19N5 — CID 90337090

IUPAC1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
SMILESCC/C=C\CNC(N)N/C(N)=N/C
InChIInChI=1S/C8H19N5/c1-3-4-5-6-12-8(10)13-7(9)11-2/h4-5,8,12H,3,6,10H2,1-2H3,(H3,9,11,13)/b5-4-
InChIKeyGJRCRPNSTHUBHA-PLNGDYQASA-N
MW185.27 g/mol
LogP-0.68
Rot. Bonds5

About 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine

1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine (PubChem CID 90337090) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
PubChem CID90337090
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
SMILESCC/C=C\CNC(N)N/C(N)=N/C
InChIInChI=1S/C8H19N5/c1-3-4-5-6-12-8(10)13-7(9)11-2/h4-5,8,12H,3,6,10H2,1-2H3,(H3,9,11,13)/b5-4-
InChIKeyGJRCRPNSTHUBHA-PLNGDYQASA-N
XLogP-0.68
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine?
The IUPAC name of 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine (CID 90337090) is 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine.
What is the SMILES notation for 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine?
The canonical SMILES for 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine is CC/C=C\CNC(N)N/C(N)=N/C.
What is the InChIKey of 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine?
The InChIKey is GJRCRPNSTHUBHA-PLNGDYQASA-N. The full InChI is InChI=1S/C8H19N5/c1-3-4-5-6-12-8(10)13-7(9)11-2/h4-5,8,12H,3,6,10H2,1-2H3,(H3,9,11,13)/b5-4-.
What are the key properties of 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine?
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine has a molecular weight of 185.27 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine is sourced from PubChem (CID 90337090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).