1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

C16H34N4 — CID 109468705

IUPAC1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCN(C)C(C)C
InChIInChI=1S/C16H34N4/c1-6-16(9-8-10-16)13-19-15(17-7-2)18-11-12-20(5)14(3)4/h14H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeyKRYBLQPUSBNTIX-UHFFFAOYSA-N
MW282.48 g/mol
LogP2.46
Rot. Bonds8

About 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine

1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 109468705) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID109468705
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCN(C)C(C)C
InChIInChI=1S/C16H34N4/c1-6-16(9-8-10-16)13-19-15(17-7-2)18-11-12-20(5)14(3)4/h14H,6-13H2,1-5H3,(H2,17,18,19)
InChIKeyKRYBLQPUSBNTIX-UHFFFAOYSA-N
XLogP2.46
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 52.46
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-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 109470846
1-[3-(dimethylamino)propyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109470617
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxyethyl)guanidine
CID 109469706
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 109470912
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 109468630
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine;hydroiodide
CID 109470205
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 109469115
methyl 7-[[N-ethyl-N'-[(1-ethylcyclobutyl)methyl]carbamimidoyl]amino]heptanoate
CID 109469119
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
CID 109470756
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 109470708
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 109469071
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
CID 109470204

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine (CID 109468705) is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is CCN/C(=N\CC1(CC)CCC1)NCCN(C)C(C)C.
What is the InChIKey of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is KRYBLQPUSBNTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4/c1-6-16(9-8-10-16)13-19-15(17-7-2)18-11-12-20(5)14(3)4/h14H,6-13H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine?
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 282.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 109468705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).