1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine

C12H25N3 — CID 62363523

IUPAC1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCC1CCCC1
InChIInChI=1S/C12H25N3/c1-10(2)9-15-12(13)14-8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyDRUXZIGTVRHUBL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.13
Rot. Bonds5

About 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine

1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine (PubChem CID 62363523) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
PubChem CID62363523
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCC1CCCC1
InChIInChI=1S/C12H25N3/c1-10(2)9-15-12(13)14-8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyDRUXZIGTVRHUBL-UHFFFAOYSA-N
XLogP2.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.13
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-[2-(1-methylpiperidin-4-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111085397
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110936978
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 62980116
N-cyclohexyl-3-[[N'-(2-methylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111075434
1-[(1-methylpiperidin-3-yl)methyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912317
1-[(1-methylpiperidin-2-yl)methyl]-2-(2-methylpropyl)guanidine
CID 62364218
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
2-(3-cyclopropylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
CID 111816691
2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
CID 119146618
1-[3-(4-methylpiperidin-1-yl)propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111034836
2-(2-methylpropyl)-1-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032415

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine (CID 62363523) is 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine?
The InChIKey is DRUXZIGTVRHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)9-15-12(13)14-8-7-11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine?
1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62363523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).