Audouine

C7H18N6 — CID 42788

IUPAC2-[5-(diaminomethylideneamino)pentyl]guanidine
SMILESC(CCN=C(N)N)CCN=C(N)N
InChIInChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)
InChIKeyFIHKQNOFFQZHRM-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.80
Rot. Bonds6

About Audouine

Audouine (PubChem CID 42788) has the molecular formula C7H18N6 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[5-(diaminomethylideneamino)pentyl]guanidine.

Molecular Properties

Compound NameAudouine
PubChem CID42788
Molecular FormulaC7H18N6
Molecular Weight186.26 g/mol
Exact Mass186.16
IUPAC Name2-[5-(diaminomethylideneamino)pentyl]guanidine
SMILESC(CCN=C(N)N)CCN=C(N)N
InChIInChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)
InChIKeyFIHKQNOFFQZHRM-UHFFFAOYSA-N
XLogP-1.80
TPSA129.00 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity157

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.80
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'}

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Related Compounds

Arcaine
CID 2227
Buformin
CID 2468
2-[8-(Diaminomethylideneamino)octyl]guanidine
CID 32869
1-(5-Aminopentyl)guanidine
CID 21298950
N,N'''-1,10-Decanediylbis(guanidine)
CID 66977
Buformin Hydrochloride
CID 84976
N,N'''-1,6-Hexanediylbisguanidine dihydrochloride
CID 75422421
N-(7-Guanidino-heptyl)-guanidine
CID 10104702
1,1'-Hexamethylenedibiguanide
CID 516375
Guanidine, butanedi-, dihydrochloride
CID 94117
1,6-Diguanidinohexane
CID 23819
Guanidine, (6-aminohexyl)-
CID 10329542

Frequently Asked Questions

What is the IUPAC name of Audouine?
The IUPAC name of Audouine (CID 42788) is 2-[5-(diaminomethylideneamino)pentyl]guanidine.
What is the SMILES notation for Audouine?
The canonical SMILES for Audouine is C(CCN=C(N)N)CCN=C(N)N.
What is the InChIKey of Audouine?
The InChIKey is FIHKQNOFFQZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13).
What are the key properties of Audouine?
Audouine has a molecular weight of 186.26 g/mol, XLogP of -1.80, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Audouine is sourced from PubChem (CID 42788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).