1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine

C15H32N4 — CID 110943590

IUPAC1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine
SMILESCCC(C)N/C(=N\C)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C15H32N4/c1-6-14(4)18-15(16-5)17-7-8-19-10-12(2)9-13(3)11-19/h12-14H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyQJIYIKKDRSYTDL-UHFFFAOYSA-N
MW268.45 g/mol
LogP1.93
Rot. Bonds5

About 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine

1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine (PubChem CID 110943590) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine
PubChem CID110943590
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine
SMILESCCC(C)N/C(=N\C)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C15H32N4/c1-6-14(4)18-15(16-5)17-7-8-19-10-12(2)9-13(3)11-19/h12-14H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyQJIYIKKDRSYTDL-UHFFFAOYSA-N
XLogP1.93
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 51.93
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-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111126777
1-butan-2-yl-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110943787
2-methyl-1-(3-methylbutan-2-yl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111000754
1-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415394
1-[2-(4-ethylpiperazin-1-yl)ethyl]-3-heptan-2-yl-2-methylguanidine
CID 111195782
2-methyl-1-(5-methylhexan-2-yl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111204089
1-[2-(2-butoxyethoxy)ethyl]-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111693321
1,2-dimethyl-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]guanidine
CID 124732350
1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine;hydroiodide
CID 110998052
1-butan-2-yl-3-hexyl-2-methylguanidine
CID 110944622
1-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 111899133
1-butan-2-yl-3-ethyl-2-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110943565

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine?
The IUPAC name of 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine (CID 110943590) is 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine is CCC(C)N/C(=N\C)NCCN1CC(C)CC(C)C1.
What is the InChIKey of 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine?
The InChIKey is QJIYIKKDRSYTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-6-14(4)18-15(16-5)17-7-8-19-10-12(2)9-13(3)11-19/h12-14H,6-11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine?
1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine has a molecular weight of 268.45 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110943590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).