2-(5-aminohexyl)guanidine

C7H18N4 — CID 4150859

IUPAC2-(5-aminohexyl)guanidine
SMILESCC(N)CCCCN=C(N)N
InChIInChI=1S/C7H18N4/c1-6(8)4-2-3-5-11-7(9)10/h6H,2-5,8H2,1H3,(H4,9,10,11)
InChIKeyYZOYGAREVHPUNH-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.22
Rot. Bonds5

About 2-(5-aminohexyl)guanidine

2-(5-aminohexyl)guanidine (PubChem CID 4150859) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(5-aminohexyl)guanidine.

Molecular Properties

Compound Name2-(5-aminohexyl)guanidine
PubChem CID4150859
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name2-(5-aminohexyl)guanidine
SMILESCC(N)CCCCN=C(N)N
InChIInChI=1S/C7H18N4/c1-6(8)4-2-3-5-11-7(9)10/h6H,2-5,8H2,1H3,(H4,9,10,11)
InChIKeyYZOYGAREVHPUNH-UHFFFAOYSA-N
XLogP-0.22
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminohexyl)guanidine?
The IUPAC name of 2-(5-aminohexyl)guanidine (CID 4150859) is 2-(5-aminohexyl)guanidine.
What is the SMILES notation for 2-(5-aminohexyl)guanidine?
The canonical SMILES for 2-(5-aminohexyl)guanidine is CC(N)CCCCN=C(N)N.
What is the InChIKey of 2-(5-aminohexyl)guanidine?
The InChIKey is YZOYGAREVHPUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-6(8)4-2-3-5-11-7(9)10/h6H,2-5,8H2,1H3,(H4,9,10,11).
What are the key properties of 2-(5-aminohexyl)guanidine?
2-(5-aminohexyl)guanidine has a molecular weight of 158.25 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminohexyl)guanidine is sourced from PubChem (CID 4150859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).