1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine

C19H32N4 — CID 109470776

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
SMILESCCC1(CN/C(=N\C)NCC(c2cccnc2)C(C)C)CCC1
InChIInChI=1S/C19H32N4/c1-5-19(9-7-10-19)14-23-18(20-4)22-13-17(15(2)3)16-8-6-11-21-12-16/h6,8,11-12,15,17H,5,7,9-10,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyYKSWPWBPHBXOGR-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.57
Rot. Bonds7

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine (PubChem CID 109470776) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
PubChem CID109470776
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
SMILESCCC1(CN/C(=N\C)NCC(c2cccnc2)C(C)C)CCC1
InChIInChI=1S/C19H32N4/c1-5-19(9-7-10-19)14-23-18(20-4)22-13-17(15(2)3)16-8-6-11-21-12-16/h6,8,11-12,15,17H,5,7,9-10,13-14H2,1-4H3,(H2,20,22,23)
InChIKeyYKSWPWBPHBXOGR-UHFFFAOYSA-N
XLogP3.57
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.57
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-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 111911260
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109468657
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea
CID 97227732
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109469492
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 109470066
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 109470292
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469412
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 109469009
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 109470890
1-[(1-ethylcyclobutyl)methyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 109469674
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470295
1-[(1-ethylcyclobutyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 109470625

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine (CID 109470776) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine is CCC1(CN/C(=N\C)NCC(c2cccnc2)C(C)C)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
The InChIKey is YKSWPWBPHBXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-5-19(9-7-10-19)14-23-18(20-4)22-13-17(15(2)3)16-8-6-11-21-12-16/h6,8,11-12,15,17H,5,7,9-10,13-14H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine has a molecular weight of 316.49 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine is sourced from PubChem (CID 109470776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).