2-butyl-1-(diaminomethylideneamino)guanidine

C6H16N6 — CID 86108034

IUPAC2-butyl-1-(diaminomethylideneamino)guanidine
SMILESCCCC/N=C(\N)NN=C(N)N
InChIInChI=1S/C6H16N6/c1-2-3-4-10-6(9)12-11-5(7)8/h2-4H2,1H3,(H4,7,8,11)(H3,9,10,12)
InChIKeyFVCOXCILMDIICL-UHFFFAOYSA-N
MW172.24 g/mol
LogP-1.12
Rot. Bonds4

About 2-butyl-1-(diaminomethylideneamino)guanidine

2-butyl-1-(diaminomethylideneamino)guanidine (PubChem CID 86108034) has the molecular formula C6H16N6 and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-butyl-1-(diaminomethylideneamino)guanidine.

Molecular Properties

Compound Name2-butyl-1-(diaminomethylideneamino)guanidine
PubChem CID86108034
Molecular FormulaC6H16N6
Molecular Weight172.24 g/mol
Exact Mass172.14
IUPAC Name2-butyl-1-(diaminomethylideneamino)guanidine
SMILESCCCC/N=C(\N)NN=C(N)N
InChIInChI=1S/C6H16N6/c1-2-3-4-10-6(9)12-11-5(7)8/h2-4H2,1H3,(H4,7,8,11)(H3,9,10,12)
InChIKeyFVCOXCILMDIICL-UHFFFAOYSA-N
XLogP-1.12
TPSA114.81 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
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 2-butyl-1-(diaminomethylideneamino)guanidine?
The IUPAC name of 2-butyl-1-(diaminomethylideneamino)guanidine (CID 86108034) is 2-butyl-1-(diaminomethylideneamino)guanidine.
What is the SMILES notation for 2-butyl-1-(diaminomethylideneamino)guanidine?
The canonical SMILES for 2-butyl-1-(diaminomethylideneamino)guanidine is CCCC/N=C(\N)NN=C(N)N.
What is the InChIKey of 2-butyl-1-(diaminomethylideneamino)guanidine?
The InChIKey is FVCOXCILMDIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6/c1-2-3-4-10-6(9)12-11-5(7)8/h2-4H2,1H3,(H4,7,8,11)(H3,9,10,12).
What are the key properties of 2-butyl-1-(diaminomethylideneamino)guanidine?
2-butyl-1-(diaminomethylideneamino)guanidine has a molecular weight of 172.24 g/mol, XLogP of -1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(diaminomethylideneamino)guanidine is sourced from PubChem (CID 86108034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).