1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine

C12H25N3 — CID 134277371

IUPAC1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine
SMILESC=C(C(C)C)C(C)CCCN/C(N)=N/C
InChIInChI=1S/C12H25N3/c1-9(2)11(4)10(3)7-6-8-15-12(13)14-5/h9-10H,4,6-8H2,1-3,5H3,(H3,13,14,15)
InChIKeyRBKROFSXSALROD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.15
Rot. Bonds6

About 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine

1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine (PubChem CID 134277371) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine
PubChem CID134277371
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine
SMILESC=C(C(C)C)C(C)CCCN/C(N)=N/C
InChIInChI=1S/C12H25N3/c1-9(2)11(4)10(3)7-6-8-15-12(13)14-5/h9-10H,4,6-8H2,1-3,5H3,(H3,13,14,15)
InChIKeyRBKROFSXSALROD-UHFFFAOYSA-N
XLogP2.15
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine?
The IUPAC name of 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine (CID 134277371) is 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine.
What is the SMILES notation for 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine?
The canonical SMILES for 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine is C=C(C(C)C)C(C)CCCN/C(N)=N/C.
What is the InChIKey of 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine?
The InChIKey is RBKROFSXSALROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-9(2)11(4)10(3)7-6-8-15-12(13)14-5/h9-10H,4,6-8H2,1-3,5H3,(H3,13,14,15).
What are the key properties of 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine?
1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-5-methylideneheptyl)-2-methylguanidine is sourced from PubChem (CID 134277371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).