1-(butylamino)-2-methylguanidine

C6H16N4 — CID 88908544

IUPAC1-(butylamino)-2-methylguanidine
SMILESCCCCNN/C(N)=N/C
InChIInChI=1S/C6H16N4/c1-3-4-5-9-10-6(7)8-2/h9H,3-5H2,1-2H3,(H3,7,8,10)
InChIKeyIVSNWMNRPRVVIS-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.17
Rot. Bonds4

About 1-(butylamino)-2-methylguanidine

1-(butylamino)-2-methylguanidine (PubChem CID 88908544) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-(butylamino)-2-methylguanidine.

Molecular Properties

Compound Name1-(butylamino)-2-methylguanidine
PubChem CID88908544
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name1-(butylamino)-2-methylguanidine
SMILESCCCCNN/C(N)=N/C
InChIInChI=1S/C6H16N4/c1-3-4-5-9-10-6(7)8-2/h9H,3-5H2,1-2H3,(H3,7,8,10)
InChIKeyIVSNWMNRPRVVIS-UHFFFAOYSA-N
XLogP-0.17
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-2-methylguanidine?
The IUPAC name of 1-(butylamino)-2-methylguanidine (CID 88908544) is 1-(butylamino)-2-methylguanidine.
What is the SMILES notation for 1-(butylamino)-2-methylguanidine?
The canonical SMILES for 1-(butylamino)-2-methylguanidine is CCCCNN/C(N)=N/C.
What is the InChIKey of 1-(butylamino)-2-methylguanidine?
The InChIKey is IVSNWMNRPRVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c1-3-4-5-9-10-6(7)8-2/h9H,3-5H2,1-2H3,(H3,7,8,10).
What are the key properties of 1-(butylamino)-2-methylguanidine?
1-(butylamino)-2-methylguanidine has a molecular weight of 144.22 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-2-methylguanidine is sourced from PubChem (CID 88908544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).