2-butyl-1-(diaminomethylidene)guanidine

C6H15N5 — CID 2468

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IUPAC2-butyl-1-(diaminomethylidene)guanidine
SMILESCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyXSEUMFJMFFMCIU-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.63
Rot. Bonds3

About 2-butyl-1-(diaminomethylidene)guanidine

2-butyl-1-(diaminomethylidene)guanidine (PubChem CID 2468) has the molecular formula C6H15N5 and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-butyl-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-butyl-1-(diaminomethylidene)guanidine
PubChem CID2468
Molecular FormulaC6H15N5
Molecular Weight157.22 g/mol
Exact Mass157.13
IUPAC Name2-butyl-1-(diaminomethylidene)guanidine
SMILESCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKeyXSEUMFJMFFMCIU-UHFFFAOYSA-N
XLogP-0.63
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
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'}

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Related Compounds

Agmatine
CID 199
Arcaine
CID 2227
N-butyl-1-carbamimidamidomethanimidamide
CID 176516704
Audouine
CID 42788
Buformin Hydrochloride
CID 84976
Guanidine, butanedi-, dihydrochloride
CID 94117
N-Butyl-N'-cyanoguanidine
CID 218734
Propylguanidine
CID 447907
Neopentylguanidine
CID 3964494
i-Butylbiguanide
CID 13548
2-Butylguanidine
CID 199249
2-(3-Methylbutyl)guanidine
CID 18005919

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-butyl-1-(diaminomethylidene)guanidine (CID 2468) is 2-butyl-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-butyl-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-butyl-1-(diaminomethylidene)guanidine is CCCC/N=C(\N)N=C(N)N.
What is the InChIKey of 2-butyl-1-(diaminomethylidene)guanidine?
The InChIKey is XSEUMFJMFFMCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11).
What are the key properties of 2-butyl-1-(diaminomethylidene)guanidine?
2-butyl-1-(diaminomethylidene)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 2468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).