2-methyl-1-(7-phosphanylideneheptyl)guanidine

C9H20N3P — CID 123437912

IUPAC2-methyl-1-(7-phosphanylideneheptyl)guanidine
SMILES[H]/P=C/CCCCCCN/C(N)=N/C
InChIInChI=1S/C9H20N3P/c1-11-9(10)12-7-5-3-2-4-6-8-13/h8,13H,2-7H2,1H3,(H3,10,11,12)
InChIKeyAADSKXGJCHFCFV-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.42
Rot. Bonds7

About 2-methyl-1-(7-phosphanylideneheptyl)guanidine

2-methyl-1-(7-phosphanylideneheptyl)guanidine (PubChem CID 123437912) has the molecular formula C9H20N3P and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-methyl-1-(7-phosphanylideneheptyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(7-phosphanylideneheptyl)guanidine
PubChem CID123437912
Molecular FormulaC9H20N3P
Molecular Weight201.25 g/mol
Exact Mass201.14
IUPAC Name2-methyl-1-(7-phosphanylideneheptyl)guanidine
SMILES[H]/P=C/CCCCCCN/C(N)=N/C
InChIInChI=1S/C9H20N3P/c1-11-9(10)12-7-5-3-2-4-6-8-13/h8,13H,2-7H2,1H3,(H3,10,11,12)
InChIKeyAADSKXGJCHFCFV-UHFFFAOYSA-N
XLogP1.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.42
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-Dodecyl-2-methylguanidine
CID 15390490
1-Butyl-2-decylguanidine
CID 18669692
2-Methyl-1-octylguanidine
CID 23103922
1,2-Dihexylguanidine
CID 11020624
2-(6-Aminohexyl)-1-butylguanidine
CID 20070092
1-Hexyl-2-methylguanidine
CID 20383657
1-Ethyl-2-octylguanidine
CID 21191489
1-Heptyl-2-methylguanidine
CID 21326141
1-(Diaminomethylidene)-3-heptyl-2-methylguanidine;hydrochloride
CID 21534122
1-(Diaminomethylidene)-3-hexyl-2-methylguanidine
CID 21534144
1,2-Dipentylguanidine
CID 23104000
1-Decyl-2-methylguanidine
CID 23104035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-phosphanylideneheptyl)guanidine?
The IUPAC name of 2-methyl-1-(7-phosphanylideneheptyl)guanidine (CID 123437912) is 2-methyl-1-(7-phosphanylideneheptyl)guanidine.
What is the SMILES notation for 2-methyl-1-(7-phosphanylideneheptyl)guanidine?
The canonical SMILES for 2-methyl-1-(7-phosphanylideneheptyl)guanidine is [H]/P=C/CCCCCCN/C(N)=N/C.
What is the InChIKey of 2-methyl-1-(7-phosphanylideneheptyl)guanidine?
The InChIKey is AADSKXGJCHFCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3P/c1-11-9(10)12-7-5-3-2-4-6-8-13/h8,13H,2-7H2,1H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-(7-phosphanylideneheptyl)guanidine?
2-methyl-1-(7-phosphanylideneheptyl)guanidine has a molecular weight of 201.25 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-phosphanylideneheptyl)guanidine is sourced from PubChem (CID 123437912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).