2-nonan-5-ylguanidine

C10H23N3 — CID 88763433

IUPAC2-nonan-5-ylguanidine
SMILESCCCCC(CCCC)N=C(N)N
InChIInChI=1S/C10H23N3/c1-3-5-7-9(8-6-4-2)13-10(11)12/h9H,3-8H2,1-2H3,(H4,11,12,13)
InChIKeyRAILVCNXFCMBAY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.01
Rot. Bonds7

About 2-nonan-5-ylguanidine

2-nonan-5-ylguanidine (PubChem CID 88763433) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-nonan-5-ylguanidine.

Molecular Properties

Compound Name2-nonan-5-ylguanidine
PubChem CID88763433
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-nonan-5-ylguanidine
SMILESCCCCC(CCCC)N=C(N)N
InChIInChI=1S/C10H23N3/c1-3-5-7-9(8-6-4-2)13-10(11)12/h9H,3-8H2,1-2H3,(H4,11,12,13)
InChIKeyRAILVCNXFCMBAY-UHFFFAOYSA-N
XLogP2.01
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-decan-5-ylguanidine
CID 146527866
2-octan-4-ylguanidine
CID 106025621
N'-octan-4-ylpropanimidamide
CID 106022229
1-(diaminomethylidene)-2-dodecan-5-ylguanidine
CID 57270136
N'-octan-4-ylbutanimidamide
CID 106022232
1-(diaminomethylidene)-2-heptan-3-ylguanidine
CID 18769921
1-tert-butyl-2-octan-4-ylguanidine
CID 106025625
2-(4-butyloctyl)guanidine
CID 167172231
1-(diaminomethylidene)-2-octan-3-ylguanidine
CID 87523734
2-[(2S)-pentan-2-yl]guanidine
CID 94416084
2-(1-cyanohexyl)guanidine
CID 141419650
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805

Frequently Asked Questions

What is the IUPAC name of 2-nonan-5-ylguanidine?
The IUPAC name of 2-nonan-5-ylguanidine (CID 88763433) is 2-nonan-5-ylguanidine.
What is the SMILES notation for 2-nonan-5-ylguanidine?
The canonical SMILES for 2-nonan-5-ylguanidine is CCCCC(CCCC)N=C(N)N.
What is the InChIKey of 2-nonan-5-ylguanidine?
The InChIKey is RAILVCNXFCMBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-3-5-7-9(8-6-4-2)13-10(11)12/h9H,3-8H2,1-2H3,(H4,11,12,13).
What are the key properties of 2-nonan-5-ylguanidine?
2-nonan-5-ylguanidine has a molecular weight of 185.31 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-5-ylguanidine is sourced from PubChem (CID 88763433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).