2-(5-aminopentyl)guanidine

C6H16N4 — CID 21298950

IUPAC2-(5-aminopentyl)guanidine
SMILESNCCCCCN=C(N)N
InChIInChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)
InChIKeyXJHFHPPZQVRVHD-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.61
Rot. Bonds5

About 2-(5-aminopentyl)guanidine

2-(5-aminopentyl)guanidine (PubChem CID 21298950) has the molecular formula C6H16N4 and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(5-aminopentyl)guanidine.

Molecular Properties

Compound Name2-(5-aminopentyl)guanidine
PubChem CID21298950
Molecular FormulaC6H16N4
Molecular Weight144.22 g/mol
Exact Mass144.14
IUPAC Name2-(5-aminopentyl)guanidine
SMILESNCCCCCN=C(N)N
InChIInChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10)
InChIKeyXJHFHPPZQVRVHD-UHFFFAOYSA-N
XLogP-0.61
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.61
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-aminopentyl)guanidine?
The IUPAC name of 2-(5-aminopentyl)guanidine (CID 21298950) is 2-(5-aminopentyl)guanidine.
What is the SMILES notation for 2-(5-aminopentyl)guanidine?
The canonical SMILES for 2-(5-aminopentyl)guanidine is NCCCCCN=C(N)N.
What is the InChIKey of 2-(5-aminopentyl)guanidine?
The InChIKey is XJHFHPPZQVRVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4/c7-4-2-1-3-5-10-6(8)9/h1-5,7H2,(H4,8,9,10).
What are the key properties of 2-(5-aminopentyl)guanidine?
2-(5-aminopentyl)guanidine has a molecular weight of 144.22 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentyl)guanidine is sourced from PubChem (CID 21298950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).