2-cyclopentyl-1-hexan-3-ylguanidine

C12H25N3 — CID 62362532

IUPAC2-cyclopentyl-1-hexan-3-ylguanidine
SMILESCCCC(CC)N/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3/c1-3-7-10(4-2)14-12(13)15-11-8-5-6-9-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyCLMHDBMJNGHUIF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.41
Rot. Bonds5

About 2-cyclopentyl-1-hexan-3-ylguanidine

2-cyclopentyl-1-hexan-3-ylguanidine (PubChem CID 62362532) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-hexan-3-ylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-hexan-3-ylguanidine
PubChem CID62362532
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-cyclopentyl-1-hexan-3-ylguanidine
SMILESCCCC(CC)N/C(N)=N/C1CCCC1
InChIInChI=1S/C12H25N3/c1-3-7-10(4-2)14-12(13)15-11-8-5-6-9-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyCLMHDBMJNGHUIF-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

2-cyclohexyl-1-octan-4-ylguanidine
CID 106025617
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
2-cyclohexyl-1-(5-methylhexan-2-yl)guanidine
CID 63925710
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
2-cyclopropyl-1-(3-ethylpentan-2-yl)guanidine
CID 63837649
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62370226
2-cyclopentyl-1-(1-methoxy-3-methylbutan-2-yl)guanidine
CID 65047958
1-amino-2-cyclopentyl-3-(1-methylsulfanylbutan-2-yl)guanidine
CID 104889083
2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912
2-cyclohexyl-1-(4-phenylbutan-2-yl)guanidine
CID 62369558
2-cyclopentyl-1-methoxyguanidine
CID 130567773
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-hexan-3-ylguanidine?
The IUPAC name of 2-cyclopentyl-1-hexan-3-ylguanidine (CID 62362532) is 2-cyclopentyl-1-hexan-3-ylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-hexan-3-ylguanidine?
The canonical SMILES for 2-cyclopentyl-1-hexan-3-ylguanidine is CCCC(CC)N/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-hexan-3-ylguanidine?
The InChIKey is CLMHDBMJNGHUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-7-10(4-2)14-12(13)15-11-8-5-6-9-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 2-cyclopentyl-1-hexan-3-ylguanidine?
2-cyclopentyl-1-hexan-3-ylguanidine has a molecular weight of 211.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-hexan-3-ylguanidine is sourced from PubChem (CID 62362532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).