3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine

C12H26N4 — CID 104885238

IUPAC3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
SMILESCN(CC(C)(C)C)/C(=N/C1CCCC1)NN
InChIInChI=1S/C12H26N4/c1-12(2,3)9-16(4)11(15-13)14-10-7-5-6-8-10/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeySUQDEFPPNNVTHJ-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.73
Rot. Bonds2

About 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine

3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine (PubChem CID 104885238) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
PubChem CID104885238
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
SMILESCN(CC(C)(C)C)/C(=N/C1CCCC1)NN
InChIInChI=1S/C12H26N4/c1-12(2,3)9-16(4)11(15-13)14-10-7-5-6-8-10/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeySUQDEFPPNNVTHJ-UHFFFAOYSA-N
XLogP1.73
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.73
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-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
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-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 104884499
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885884
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-2-cyclopentyl-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 116513032
3-amino-2-cyclopentyl-1-methyl-1-(oxan-3-ylmethyl)guanidine
CID 104886264

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine (CID 104885238) is 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine is CN(CC(C)(C)C)/C(=N/C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
The InChIKey is SUQDEFPPNNVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-12(2,3)9-16(4)11(15-13)14-10-7-5-6-8-10/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine has a molecular weight of 226.37 g/mol, XLogP of 1.73, 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-(2,2-dimethylpropyl)-1-methylguanidine is sourced from PubChem (CID 104885238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).