2-(4-cyanobutyl)guanidine

C6H12N4 — CID 131086878

IUPAC2-(4-cyanobutyl)guanidine
SMILESN#CCCCCN=C(N)N
InChIInChI=1S/C6H12N4/c7-4-2-1-3-5-10-6(8)9/h1-3,5H2,(H4,8,9,10)
InChIKeyBKRHYKOKHPIYDT-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.05
Rot. Bonds4

About 2-(4-cyanobutyl)guanidine

2-(4-cyanobutyl)guanidine (PubChem CID 131086878) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-(4-cyanobutyl)guanidine.

Molecular Properties

Compound Name2-(4-cyanobutyl)guanidine
PubChem CID131086878
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name2-(4-cyanobutyl)guanidine
SMILESN#CCCCCN=C(N)N
InChIInChI=1S/C6H12N4/c7-4-2-1-3-5-10-6(8)9/h1-3,5H2,(H4,8,9,10)
InChIKeyBKRHYKOKHPIYDT-UHFFFAOYSA-N
XLogP-0.05
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.05
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-(4-aminobutyl)guanidine
CID 22560045
2-pent-4-ynylguanidine
CID 103696922
2-(4-iodobutyl)guanidine
CID 155000477
henicosanedinitrile
CID 87345062
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
[1-amino-4-(diaminomethylideneamino)butyl]boronic acid
CID 3482116
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
10-cyanodecanamide
CID 87916786
ethane;2-(4-methylpentyl)guanidine
CID 170602256
4-(3-cyanopropyldiazenyl)butanenitrile;methanol
CID 87250010
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanobutyl)guanidine?
The IUPAC name of 2-(4-cyanobutyl)guanidine (CID 131086878) is 2-(4-cyanobutyl)guanidine.
What is the SMILES notation for 2-(4-cyanobutyl)guanidine?
The canonical SMILES for 2-(4-cyanobutyl)guanidine is N#CCCCCN=C(N)N.
What is the InChIKey of 2-(4-cyanobutyl)guanidine?
The InChIKey is BKRHYKOKHPIYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c7-4-2-1-3-5-10-6(8)9/h1-3,5H2,(H4,8,9,10).
What are the key properties of 2-(4-cyanobutyl)guanidine?
2-(4-cyanobutyl)guanidine has a molecular weight of 140.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanobutyl)guanidine is sourced from PubChem (CID 131086878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).