1-(2,3-dimethylcyclopentyl)-2-propylguanidine

C11H23N3 — CID 64922025

IUPAC1-(2,3-dimethylcyclopentyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCC(C)C1C
InChIInChI=1S/C11H23N3/c1-4-7-13-11(12)14-10-6-5-8(2)9(10)3/h8-10H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyOKZDKKCDBASOCK-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.74
Rot. Bonds3

About 1-(2,3-dimethylcyclopentyl)-2-propylguanidine

1-(2,3-dimethylcyclopentyl)-2-propylguanidine (PubChem CID 64922025) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopentyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopentyl)-2-propylguanidine
PubChem CID64922025
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-(2,3-dimethylcyclopentyl)-2-propylguanidine
SMILESCCC/N=C(\N)NC1CCC(C)C1C
InChIInChI=1S/C11H23N3/c1-4-7-13-11(12)14-10-6-5-8(2)9(10)3/h8-10H,4-7H2,1-3H3,(H3,12,13,14)
InChIKeyOKZDKKCDBASOCK-UHFFFAOYSA-N
XLogP1.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.74
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-amino-3-(2,3-dimethylcyclohexyl)-2-propylguanidine
CID 104883054
1-(2-cyclohexylcyclopropyl)-2-propylguanidine;hydroiodide
CID 111820037
N-(2,3-dimethylcyclopentyl)butanamide
CID 64922483
4-[(N'-propylcarbamimidoyl)amino]cyclohexane-1-carboxamide
CID 62363981
1-(1,1-dioxothian-4-yl)-2-propylguanidine
CID 62364853
1-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 62363794
2-benzyl-1-(2,3-dimethylcyclohexyl)guanidine
CID 130158509
N-(2,3-dimethylcyclopentyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 77050596
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511889
ethene;methane;2-propyl-1-(N'-propylcarbamimidoyl)guanidine;vanadium
CID 158727971
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopentyl)-2-propylguanidine?
The IUPAC name of 1-(2,3-dimethylcyclopentyl)-2-propylguanidine (CID 64922025) is 1-(2,3-dimethylcyclopentyl)-2-propylguanidine.
What is the SMILES notation for 1-(2,3-dimethylcyclopentyl)-2-propylguanidine?
The canonical SMILES for 1-(2,3-dimethylcyclopentyl)-2-propylguanidine is CCC/N=C(\N)NC1CCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopentyl)-2-propylguanidine?
The InChIKey is OKZDKKCDBASOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-7-13-11(12)14-10-6-5-8(2)9(10)3/h8-10H,4-7H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-(2,3-dimethylcyclopentyl)-2-propylguanidine?
1-(2,3-dimethylcyclopentyl)-2-propylguanidine has a molecular weight of 197.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopentyl)-2-propylguanidine is sourced from PubChem (CID 64922025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).