1-(diaminomethylidene)-2-hexylguanidine

C8H19N5 — CID 20977

IUPAC1-(diaminomethylidene)-2-hexylguanidine
SMILESCCCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)
InChIKeyVAZJLPXFVQHDFB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.15
Rot. Bonds5

About 1-(diaminomethylidene)-2-hexylguanidine

1-(diaminomethylidene)-2-hexylguanidine (PubChem CID 20977) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-hexylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-hexylguanidine
PubChem CID20977
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Name1-(diaminomethylidene)-2-hexylguanidine
SMILESCCCCCC/N=C(\N)N=C(N)N
InChIInChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)
InChIKeyVAZJLPXFVQHDFB-UHFFFAOYSA-N
XLogP0.15
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.15
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

Guanidine, dodecyl-
CID 8204
N-(8-Amino-octyl)-guanidine
CID 10035350
Dodecylguanidine hydrochloride
CID 61649
2-[8-(Diaminomethylideneamino)octyl]guanidine
CID 32869
2-(7-Aminoheptyl)guanidine
CID 448393
Audouine
CID 42788
Octylguanidine
CID 30622
1-(12-Guanidinododecyl)guanidine
CID 43558
N,N'''-1,10-Decanediylbis(guanidine)
CID 66977
N,N'''-1,6-Hexanediylbisguanidine dihydrochloride
CID 75422421
N-(7-Guanidino-heptyl)-guanidine
CID 10104702
1,1'-Hexamethylenedibiguanide
CID 516375

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-hexylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-hexylguanidine (CID 20977) is 1-(diaminomethylidene)-2-hexylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-hexylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-hexylguanidine is CCCCCC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-hexylguanidine?
The InChIKey is VAZJLPXFVQHDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-hexylguanidine?
1-(diaminomethylidene)-2-hexylguanidine has a molecular weight of 185.27 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-hexylguanidine is sourced from PubChem (CID 20977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).