3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine

C13H28N4 — CID 104884499

IUPAC3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
SMILESCC(N(C)/C(=N/C1CCCC1)NN)C(C)(C)C
InChIInChI=1S/C13H28N4/c1-10(13(2,3)4)17(5)12(16-14)15-11-8-6-7-9-11/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyVFZGHYILQNYUMG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.11
Rot. Bonds2

About 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine

3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine (PubChem CID 104884499) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
PubChem CID104884499
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
SMILESCC(N(C)/C(=N/C1CCCC1)NN)C(C)(C)C
InChIInChI=1S/C13H28N4/c1-10(13(2,3)4)17(5)12(16-14)15-11-8-6-7-9-11/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyVFZGHYILQNYUMG-UHFFFAOYSA-N
XLogP2.11
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.11
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-1,1-dimethylguanidine
CID 104883392
3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine
CID 104882062
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
2-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine
CID 62362582
3-amino-2-cyclopentyl-1-cyclopropyl-1-methylguanidine
CID 104883533
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
3-amino-2-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 104883616
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 104885486
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-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine (CID 104884499) is 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine is CC(N(C)/C(=N/C1CCCC1)NN)C(C)(C)C.
What is the InChIKey of 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
The InChIKey is VFZGHYILQNYUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-10(13(2,3)4)17(5)12(16-14)15-11-8-6-7-9-11/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of 3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine?
3-amino-2-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1-methylguanidine has a molecular weight of 240.39 g/mol, XLogP of 2.11, 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-(3,3-dimethylbutan-2-yl)-1-methylguanidine is sourced from PubChem (CID 104884499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).