1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine

C15H34N4 — CID 111042443

IUPAC1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
SMILESCCCCN/C(N)=N/CC(CC(C)C)N(CC)CC
InChIInChI=1S/C15H34N4/c1-6-9-10-17-15(16)18-12-14(11-13(4)5)19(7-2)8-3/h13-14H,6-12H2,1-5H3,(H3,16,17,18)
InChIKeyGRIVSGSSKVNTRC-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.45
Rot. Bonds10

About 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine

1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine (PubChem CID 111042443) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
PubChem CID111042443
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
SMILESCCCCN/C(N)=N/CC(CC(C)C)N(CC)CC
InChIInChI=1S/C15H34N4/c1-6-9-10-17-15(16)18-12-14(11-13(4)5)19(7-2)8-3/h13-14H,6-12H2,1-5H3,(H3,16,17,18)
InChIKeyGRIVSGSSKVNTRC-UHFFFAOYSA-N
XLogP2.45
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.45
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-(cyclobutylmethyl)-2-[2-(diethylamino)-4-methylpentyl]guanidine;hydroiodide
CID 111042472
2-[2-(diethylamino)propyl]-1-propylguanidine
CID 111055329
2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111041738
1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111802302
1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
CID 111099069
1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111821808
1-butyl-2-(4-propan-2-yloxybutyl)guanidine;hydroiodide
CID 110029189
1-hexyl-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111041494
2-[2-(diethylamino)-4-methylpentyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111042483
2-(2-anilino-3-methylbutyl)-1-butylguanidine
CID 111041023

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine?
The IUPAC name of 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine (CID 111042443) is 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine.
What is the SMILES notation for 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine?
The canonical SMILES for 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine is CCCCN/C(N)=N/CC(CC(C)C)N(CC)CC.
What is the InChIKey of 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine?
The InChIKey is GRIVSGSSKVNTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-6-9-10-17-15(16)18-12-14(11-13(4)5)19(7-2)8-3/h13-14H,6-12H2,1-5H3,(H3,16,17,18).
What are the key properties of 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine?
1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine has a molecular weight of 270.46 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine is sourced from PubChem (CID 111042443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).