1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine

C15H32N4 — CID 111117681

IUPAC1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
SMILESCCC(C)N/C(N)=N/CCCCCN1CCCCC1
InChIInChI=1S/C15H32N4/c1-3-14(2)18-15(16)17-10-6-4-7-11-19-12-8-5-9-13-19/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyTZYBHKUALQVDFH-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.35
Rot. Bonds8

About 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine

1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine (PubChem CID 111117681) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
PubChem CID111117681
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine
SMILESCCC(C)N/C(N)=N/CCCCCN1CCCCC1
InChIInChI=1S/C15H32N4/c1-3-14(2)18-15(16)17-10-6-4-7-11-19-12-8-5-9-13-19/h14H,3-13H2,1-2H3,(H3,16,17,18)
InChIKeyTZYBHKUALQVDFH-UHFFFAOYSA-N
XLogP2.35
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.35
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

1-[4-[[amino-(butan-2-ylamino)methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 110927221
1-(6-methylheptan-2-yl)-2-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034761
1-butyl-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111809695
1-butyl-2-(5-pyrrolidin-1-ylpentyl)guanidine
CID 22500452
1-butan-2-yl-2-(6-methylsulfanylhexyl)guanidine
CID 110029262
2-hexyl-1-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059756
1-butan-2-yl-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110029355
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
1-ethyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991555
1-hydroxy-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 62991903
1-ethyl-3-(1-methoxypropan-2-yl)-2-(5-piperidin-1-ylpentyl)guanidine;hydroiodide
CID 111782949
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine (CID 111117681) is 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine is CCC(C)N/C(N)=N/CCCCCN1CCCCC1.
What is the InChIKey of 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine?
The InChIKey is TZYBHKUALQVDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-3-14(2)18-15(16)17-10-6-4-7-11-19-12-8-5-9-13-19/h14H,3-13H2,1-2H3,(H3,16,17,18).
What are the key properties of 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine?
1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(5-piperidin-1-ylpentyl)guanidine is sourced from PubChem (CID 111117681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).