1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine

C12H28N4 — CID 111802302

IUPAC1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCCCCN(C)CCN/C(N)=N/CC(C)C
InChIInChI=1S/C12H28N4/c1-5-6-8-16(4)9-7-14-12(13)15-10-11(2)3/h11H,5-10H2,1-4H3,(H3,13,14,15)
InChIKeyAXQKIVFUBYVVHL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.28
Rot. Bonds8

About 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine

1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 111802302) has the molecular formula C12H28N4 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
PubChem CID111802302
Molecular FormulaC12H28N4
Molecular Weight228.38 g/mol
Exact Mass228.23
IUPAC Name1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCCCCN(C)CCN/C(N)=N/CC(C)C
InChIInChI=1S/C12H28N4/c1-5-6-8-16(4)9-7-14-12(13)15-10-11(2)3/h11H,5-10H2,1-4H3,(H3,13,14,15)
InChIKeyAXQKIVFUBYVVHL-UHFFFAOYSA-N
XLogP1.28
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 62980116
1-[2-(2-butoxyethoxy)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111821808
1-butyl-1-methyl-2-(2-methylpropyl)guanidine
CID 62360457
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110936978
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111548332
1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
CID 111042443
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
CID 111099069
1-butyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine;hydroiodide
CID 111066546
1-butyl-3-[2-[butyl(methyl)amino]ethyl]-2-methylguanidine
CID 111781324
2-[2-(diethylamino)propyl]-1-propylguanidine
CID 111055329
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-[3-(N-ethylanilino)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111035148

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine (CID 111802302) is 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine is CCCCN(C)CCN/C(N)=N/CC(C)C.
What is the InChIKey of 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is AXQKIVFUBYVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4/c1-5-6-8-16(4)9-7-14-12(13)15-10-11(2)3/h11H,5-10H2,1-4H3,(H3,13,14,15).
What are the key properties of 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine?
1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 228.38 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111802302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).