2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine

C17H27FN4 — CID 134121977

IUPAC2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine
SMILESCC(C)(CN)C/N=C(/Nc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C17H27FN4/c1-17(2,11-19)12-20-16(21-14-7-3-4-8-14)22-15-9-5-6-13(18)10-15/h5-6,9-10,14H,3-4,7-8,11-12,19H2,1-2H3,(H2,20,21,22)
InChIKeyKEQXCQLJRQCUGS-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.11
Rot. Bonds5

About 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine

2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine (PubChem CID 134121977) has the molecular formula C17H27FN4 and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine.

Molecular Properties

Compound Name2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine
PubChem CID134121977
Molecular FormulaC17H27FN4
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine
SMILESCC(C)(CN)C/N=C(/Nc1cccc(F)c1)NC1CCCC1
InChIInChI=1S/C17H27FN4/c1-17(2,11-19)12-20-16(21-14-7-3-4-8-14)22-15-9-5-6-13(18)10-15/h5-6,9-10,14H,3-4,7-8,11-12,19H2,1-2H3,(H2,20,21,22)
InChIKeyKEQXCQLJRQCUGS-UHFFFAOYSA-N
XLogP3.11
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.11
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-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
CID 134111402
2-(3-amino-2,2-dimethylpropyl)-1-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylguanidine
CID 134099414
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-3-(3-fluorophenyl)guanidine
CID 134091938
N'-(3-amino-2,2-dimethylpropyl)-N-(3-fluorophenyl)morpholine-4-carboximidamide
CID 134121985
2-[(1S,2S)-2-aminocyclohexyl]-1-cycloheptyl-3-(3-fluorophenyl)guanidine
CID 134091911
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine
CID 134121750
1-cyclopentyl-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 110992731
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
1-cyclopentyl-3-ethyl-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 110992329
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110958992
1-ethyl-2-[2-(3-fluorophenyl)-2-methylpropyl]-3-(4-hydroxycyclohexyl)guanidine
CID 111979521

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine?
The IUPAC name of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine (CID 134121977) is 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine.
What is the SMILES notation for 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine?
The canonical SMILES for 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine is CC(C)(CN)C/N=C(/Nc1cccc(F)c1)NC1CCCC1.
What is the InChIKey of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine?
The InChIKey is KEQXCQLJRQCUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4/c1-17(2,11-19)12-20-16(21-14-7-3-4-8-14)22-15-9-5-6-13(18)10-15/h5-6,9-10,14H,3-4,7-8,11-12,19H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine?
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine has a molecular weight of 306.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-(3-fluorophenyl)guanidine is sourced from PubChem (CID 134121977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).