3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine

C10H20N4 — CID 104883533

IUPAC3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(=N/C1CCCC1)NN)C1CC1
InChIInChI=1S/C10H20N4/c1-14(9-6-7-9)10(13-11)12-8-4-2-3-5-8/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyXAMFYNYFESWAIA-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.84
Rot. Bonds2

About 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine

3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine (PubChem CID 104883533) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
PubChem CID104883533
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(=N/C1CCCC1)NN)C1CC1
InChIInChI=1S/C10H20N4/c1-14(9-6-7-9)10(13-11)12-8-4-2-3-5-8/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyXAMFYNYFESWAIA-UHFFFAOYSA-N
XLogP0.84
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-cyclopentyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 104883663
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 104884499
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-2-cyclopropyl-1-methyl-1-(2-methyloxolan-3-yl)guanidine
CID 104887872

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine (CID 104883533) is 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine is CN(/C(=N/C1CCCC1)NN)C1CC1.
What is the InChIKey of 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine?
The InChIKey is XAMFYNYFESWAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-14(9-6-7-9)10(13-11)12-8-4-2-3-5-8/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine?
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine has a molecular weight of 196.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 104883533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).