3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine

C9H19N5 — CID 176546318

IUPAC3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine
SMILES[H]/N=C(/N/C(N)=N/C1CCCC1)N(C)C
InChIInChI=1S/C9H19N5/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H4,10,11,12,13)
InChIKeyOEMDRHPZYLZRKL-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.33
Rot. Bonds1

About 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine

3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine (PubChem CID 176546318) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine
PubChem CID176546318
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine
SMILES[H]/N=C(/N/C(N)=N/C1CCCC1)N(C)C
InChIInChI=1S/C9H19N5/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H4,10,11,12,13)
InChIKeyOEMDRHPZYLZRKL-UHFFFAOYSA-N
XLogP0.33
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912
1-carbamimidoyl-2-cyclopentylguanidine;sulfuric acid
CID 176517926
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
2-cyclopentyl-1-methoxyguanidine
CID 130567773
1,1-dimethyl-3-(N'-pentylcarbamimidoyl)guanidine;hydrochloride
CID 176524917
1-carbamimidoyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 176546957
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176542819
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
2-cyclohexyl-1-methylsulfonylguanidine
CID 130901012
2-cyclopentyl-1-(1-methylcyclopentyl)guanidine
CID 62369070
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
2-cyclopentyl-1-hexan-3-ylguanidine
CID 62362532

Frequently Asked Questions

What is the IUPAC name of 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine?
The IUPAC name of 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine (CID 176546318) is 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine.
What is the SMILES notation for 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine?
The canonical SMILES for 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine is [H]/N=C(/N/C(N)=N/C1CCCC1)N(C)C.
What is the InChIKey of 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine?
The InChIKey is OEMDRHPZYLZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H4,10,11,12,13).
What are the key properties of 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine?
3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine has a molecular weight of 197.29 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N'-cyclopentylcarbamimidoyl)-1,1-dimethylguanidine is sourced from PubChem (CID 176546318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).