1-(1-cyclohexylethyl)-2-propylguanidine

C12H25N3 — CID 62406352

IUPAC1-(1-cyclohexylethyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(C)C1CCCCC1
InChIInChI=1S/C12H25N3/c1-3-9-14-12(13)15-10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyZHIRHJGWXXVYTA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.27
Rot. Bonds4

About 1-(1-cyclohexylethyl)-2-propylguanidine

1-(1-cyclohexylethyl)-2-propylguanidine (PubChem CID 62406352) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-2-propylguanidine
PubChem CID62406352
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-(1-cyclohexylethyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC(C)C1CCCCC1
InChIInChI=1S/C12H25N3/c1-3-9-14-12(13)15-10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyZHIRHJGWXXVYTA-UHFFFAOYSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
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

1,2-bis[(1R)-1-cyclohexylethyl]guanidine
CID 12014151
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
1-(3-cyclopentyl-3-ethoxypropyl)-2-propylguanidine
CID 111601024
1-(4-hydroxybutan-2-yl)-2-propylguanidine
CID 83177933
1-but-3-yn-2-yl-2-propylguanidine
CID 114393547
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
1-(3-cyclohexylpropyl)-2-propylguanidine
CID 111062802
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
1-(2-cyclohexylcyclopropyl)-2-propylguanidine;hydroiodide
CID 111820037
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-2-propylguanidine?
The IUPAC name of 1-(1-cyclohexylethyl)-2-propylguanidine (CID 62406352) is 1-(1-cyclohexylethyl)-2-propylguanidine.
What is the SMILES notation for 1-(1-cyclohexylethyl)-2-propylguanidine?
The canonical SMILES for 1-(1-cyclohexylethyl)-2-propylguanidine is CCC/N=C(\N)NC(C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-2-propylguanidine?
The InChIKey is ZHIRHJGWXXVYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-9-14-12(13)15-10(2)11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(1-cyclohexylethyl)-2-propylguanidine?
1-(1-cyclohexylethyl)-2-propylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-2-propylguanidine is sourced from PubChem (CID 62406352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).