2-amino-1-heptyl-1-methylguanidine

C9H22N4 — CID 55281921

IUPAC2-amino-1-heptyl-1-methylguanidine
SMILESCCCCCCCN(C)/C(N)=N/N
InChIInChI=1S/C9H22N4/c1-3-4-5-6-7-8-13(2)9(10)12-11/h3-8,11H2,1-2H3,(H2,10,12)
InChIKeyFZWLYLZRPXHJAJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.08
Rot. Bonds6

About 2-amino-1-heptyl-1-methylguanidine

2-amino-1-heptyl-1-methylguanidine (PubChem CID 55281921) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-amino-1-heptyl-1-methylguanidine.

Molecular Properties

Compound Name2-amino-1-heptyl-1-methylguanidine
PubChem CID55281921
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-amino-1-heptyl-1-methylguanidine
SMILESCCCCCCCN(C)/C(N)=N/N
InChIInChI=1S/C9H22N4/c1-3-4-5-6-7-8-13(2)9(10)12-11/h3-8,11H2,1-2H3,(H2,10,12)
InChIKeyFZWLYLZRPXHJAJ-UHFFFAOYSA-N
XLogP1.08
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-heptyl-1-methylguanidine?
The IUPAC name of 2-amino-1-heptyl-1-methylguanidine (CID 55281921) is 2-amino-1-heptyl-1-methylguanidine.
What is the SMILES notation for 2-amino-1-heptyl-1-methylguanidine?
The canonical SMILES for 2-amino-1-heptyl-1-methylguanidine is CCCCCCCN(C)/C(N)=N/N.
What is the InChIKey of 2-amino-1-heptyl-1-methylguanidine?
The InChIKey is FZWLYLZRPXHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-3-4-5-6-7-8-13(2)9(10)12-11/h3-8,11H2,1-2H3,(H2,10,12).
What are the key properties of 2-amino-1-heptyl-1-methylguanidine?
2-amino-1-heptyl-1-methylguanidine has a molecular weight of 186.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-heptyl-1-methylguanidine is sourced from PubChem (CID 55281921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).