2-decan-5-ylguanidine

C11H25N3 — CID 146527866

IUPAC2-decan-5-ylguanidine
SMILESCCCCCC(CCCC)N=C(N)N
InChIInChI=1S/C11H25N3/c1-3-5-7-9-10(8-6-4-2)14-11(12)13/h10H,3-9H2,1-2H3,(H4,12,13,14)
InChIKeyOJJZEOKVLABMLX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.40
Rot. Bonds8

About 2-decan-5-ylguanidine

2-decan-5-ylguanidine (PubChem CID 146527866) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-decan-5-ylguanidine.

Molecular Properties

Compound Name2-decan-5-ylguanidine
PubChem CID146527866
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-decan-5-ylguanidine
SMILESCCCCCC(CCCC)N=C(N)N
InChIInChI=1S/C11H25N3/c1-3-5-7-9-10(8-6-4-2)14-11(12)13/h10H,3-9H2,1-2H3,(H4,12,13,14)
InChIKeyOJJZEOKVLABMLX-UHFFFAOYSA-N
XLogP2.40
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.40
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

2-nonan-5-ylguanidine
CID 88763433
2-octan-4-ylguanidine
CID 106025621
1-(diaminomethylidene)-2-dodecan-5-ylguanidine
CID 57270136
N'-octan-4-ylpropanimidamide
CID 106022229
1-(diaminomethylidene)-2-octan-3-ylguanidine
CID 87523734
N'-octan-4-ylbutanimidamide
CID 106022232
N-dodecan-6-ylundecan-6-imine
CID 134421092
1-(diaminomethylidene)-2-heptan-3-ylguanidine
CID 18769921
2-(1-cyanohexyl)guanidine
CID 141419650
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
2-(2-decyltetradecyl)guanidine
CID 88879989
2-(2-octyldodecyl)guanidine
CID 139725194

Frequently Asked Questions

What is the IUPAC name of 2-decan-5-ylguanidine?
The IUPAC name of 2-decan-5-ylguanidine (CID 146527866) is 2-decan-5-ylguanidine.
What is the SMILES notation for 2-decan-5-ylguanidine?
The canonical SMILES for 2-decan-5-ylguanidine is CCCCCC(CCCC)N=C(N)N.
What is the InChIKey of 2-decan-5-ylguanidine?
The InChIKey is OJJZEOKVLABMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-5-7-9-10(8-6-4-2)14-11(12)13/h10H,3-9H2,1-2H3,(H4,12,13,14).
What are the key properties of 2-decan-5-ylguanidine?
2-decan-5-ylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-5-ylguanidine is sourced from PubChem (CID 146527866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).