2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine

C15H30N4 — CID 111809668

IUPAC2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCCCN1CCCCC1
InChIInChI=1S/C15H30N4/c1-14(2)13-18-15(16)17-9-5-3-6-10-19-11-7-4-8-12-19/h1,3-13H2,2H3,(H3,16,17,18)
InChIKeyPSPGZQIATAZVEG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.12
Rot. Bonds8

About 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine

2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine (PubChem CID 111809668) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
PubChem CID111809668
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCCCN1CCCCC1
InChIInChI=1S/C15H30N4/c1-14(2)13-18-15(16)17-9-5-3-6-10-19-11-7-4-8-12-19/h1,3-13H2,2H3,(H3,16,17,18)
InChIKeyPSPGZQIATAZVEG-UHFFFAOYSA-N
XLogP2.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.12
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(azepan-1-yl)propyl]-2-(2-methylprop-2-enyl)guanidine
CID 111029596
1-[2-(azepan-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057045
2-(2-methylprop-2-enyl)-1-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059920
1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111809695
2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10589924
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111057483
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
2-(2-methylprop-2-enyl)-1-octylguanidine;hydroiodide
CID 109394322
1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
1-[3-(azepan-1-yl)propyl]-2-methylguanidine
CID 110913648
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
2-benzyl-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500555

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine (CID 111809668) is 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine is C=C(C)C/N=C(\N)NCCCCCN1CCCCC1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine?
The InChIKey is PSPGZQIATAZVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-14(2)13-18-15(16)17-9-5-3-6-10-19-11-7-4-8-12-19/h1,3-13H2,2H3,(H3,16,17,18).
What are the key properties of 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine?
2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine has a molecular weight of 266.43 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(5-piperidin-1-ylpentyl)guanidine is sourced from PubChem (CID 111809668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).