2-(1-cyanohexyl)guanidine

C8H16N4 — CID 141419650

IUPAC2-(1-cyanohexyl)guanidine
SMILESCCCCCC(C#N)N=C(N)N
InChIInChI=1S/C8H16N4/c1-2-3-4-5-7(6-9)12-8(10)11/h7H,2-5H2,1H3,(H4,10,11,12)
InChIKeyXUZNHFPWXOWNCQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.73
Rot. Bonds5

About 2-(1-cyanohexyl)guanidine

2-(1-cyanohexyl)guanidine (PubChem CID 141419650) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(1-cyanohexyl)guanidine.

Molecular Properties

Compound Name2-(1-cyanohexyl)guanidine
PubChem CID141419650
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-(1-cyanohexyl)guanidine
SMILESCCCCCC(C#N)N=C(N)N
InChIInChI=1S/C8H16N4/c1-2-3-4-5-7(6-9)12-8(10)11/h7H,2-5H2,1H3,(H4,10,11,12)
InChIKeyXUZNHFPWXOWNCQ-UHFFFAOYSA-N
XLogP0.73
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
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

2-decan-5-ylguanidine
CID 146527866
2-nonan-5-ylguanidine
CID 88763433
2-cyanononanamide
CID 91478546
2-octyldodecanenitrile
CID 87721815
2-octadecylicosanenitrile
CID 89491101
2-(2-octyldodecyl)guanidine
CID 139725194
2-(2-decyltetradecyl)guanidine
CID 88879989
4-cyanoundecanamide
CID 71433018
2-(hydroxymethyl)undecanenitrile
CID 63215515
2-octan-4-ylguanidine
CID 106025621
2-[(5S)-5-butyldodecyl]guanidine
CID 155411805
2-propylhexadecanenitrile
CID 54538320

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanohexyl)guanidine?
The IUPAC name of 2-(1-cyanohexyl)guanidine (CID 141419650) is 2-(1-cyanohexyl)guanidine.
What is the SMILES notation for 2-(1-cyanohexyl)guanidine?
The canonical SMILES for 2-(1-cyanohexyl)guanidine is CCCCCC(C#N)N=C(N)N.
What is the InChIKey of 2-(1-cyanohexyl)guanidine?
The InChIKey is XUZNHFPWXOWNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-3-4-5-7(6-9)12-8(10)11/h7H,2-5H2,1H3,(H4,10,11,12).
What are the key properties of 2-(1-cyanohexyl)guanidine?
2-(1-cyanohexyl)guanidine has a molecular weight of 168.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanohexyl)guanidine is sourced from PubChem (CID 141419650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).