2-dodecylguanidine

C13H29N3 — CID 8204

IUPAC2-dodecylguanidine
SMILESCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
InChIKeyHILAYQUKKYWPJW-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.18
Rot. Bonds11

About 2-dodecylguanidine

2-dodecylguanidine (PubChem CID 8204) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 2-dodecylguanidine.

Molecular Properties

Compound Name2-dodecylguanidine
PubChem CID8204
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name2-dodecylguanidine
SMILESCCCCCCCCCCCCN=C(N)N
InChIInChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
InChIKeyHILAYQUKKYWPJW-UHFFFAOYSA-N
XLogP3.18
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
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

N-(8-Amino-octyl)-guanidine
CID 10035350
Dodecylguanidine hydrochloride
CID 61649
2-[8-(Diaminomethylideneamino)octyl]guanidine
CID 32869
2-(7-Aminoheptyl)guanidine
CID 448393
Octylguanidine
CID 30622
1-(12-Guanidinododecyl)guanidine
CID 43558
N,N'''-1,10-Decanediylbis(guanidine)
CID 66977
N-(7-Guanidino-heptyl)-guanidine
CID 10104702
Synthalin
CID 71075
N-Dodecylguanidine--hydrogen bromide (1/1)
CID 135552046
Octadecylguanidine monohydrochloride
CID 71436262
1,6-Diguanidinohexane
CID 23819

Frequently Asked Questions

What is the IUPAC name of 2-dodecylguanidine?
The IUPAC name of 2-dodecylguanidine (CID 8204) is 2-dodecylguanidine.
What is the SMILES notation for 2-dodecylguanidine?
The canonical SMILES for 2-dodecylguanidine is CCCCCCCCCCCCN=C(N)N.
What is the InChIKey of 2-dodecylguanidine?
The InChIKey is HILAYQUKKYWPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16).
What are the key properties of 2-dodecylguanidine?
2-dodecylguanidine has a molecular weight of 227.40 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylguanidine is sourced from PubChem (CID 8204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).