1-tert-butyl-2-(2-cyclopentylethyl)guanidine

C12H25N3 — CID 62363522

IUPAC1-tert-butyl-2-(2-cyclopentylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCC1CCCC1
InChIInChI=1S/C12H25N3/c1-12(2,3)15-11(13)14-9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyTZOSKQAFVURNCX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds3

About 1-tert-butyl-2-(2-cyclopentylethyl)guanidine

1-tert-butyl-2-(2-cyclopentylethyl)guanidine (PubChem CID 62363522) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-cyclopentylethyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-cyclopentylethyl)guanidine
PubChem CID62363522
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-tert-butyl-2-(2-cyclopentylethyl)guanidine
SMILESCC(C)(C)N/C(N)=N/CCC1CCCC1
InChIInChI=1S/C12H25N3/c1-12(2,3)15-11(13)14-9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H3,13,14,15)
InChIKeyTZOSKQAFVURNCX-UHFFFAOYSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-tert-butyl-2-(3-cyclohexylpropyl)guanidine
CID 111062806
1-tert-butyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018771
1-tert-butyl-2-(2-cycloheptyloxyethyl)guanidine
CID 111812597
N'-(2-cyclohexylethyl)ethanimidamide
CID 63173186
1-tert-butyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111056754
1-tert-butyl-2-[(3-hydroxycyclopentyl)methyl]guanidine
CID 106136629
1-tert-butyl-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111060069
N'-(2-cyclopentylethyl)cyclopropanecarboximidamide
CID 63175622
1-tert-butyl-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111084251
1-tert-butyl-2-[(2-cyclopropylcyclopentyl)methyl]guanidine
CID 122098987
1-tert-butyl-2-(3-ethylcyclohexyl)guanidine
CID 64748197
2-(2-cyclopentylethyl)guanidine;sulfuric acid
CID 70610443

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-cyclopentylethyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2-cyclopentylethyl)guanidine (CID 62363522) is 1-tert-butyl-2-(2-cyclopentylethyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2-cyclopentylethyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2-cyclopentylethyl)guanidine is CC(C)(C)N/C(N)=N/CCC1CCCC1.
What is the InChIKey of 1-tert-butyl-2-(2-cyclopentylethyl)guanidine?
The InChIKey is TZOSKQAFVURNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2,3)15-11(13)14-9-8-10-6-4-5-7-10/h10H,4-9H2,1-3H3,(H3,13,14,15).
What are the key properties of 1-tert-butyl-2-(2-cyclopentylethyl)guanidine?
1-tert-butyl-2-(2-cyclopentylethyl)guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-cyclopentylethyl)guanidine is sourced from PubChem (CID 62363522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).