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

C17H28N4 — CID 134111402

IUPAC2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
SMILESCC(C)(CN)C/N=C(/Nc1ccccc1)NC1CCCC1
InChIInChI=1S/C17H28N4/c1-17(2,12-18)13-19-16(21-15-10-6-7-11-15)20-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,18H2,1-2H3,(H2,19,20,21)
InChIKeyLGATWQFDHONMLE-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.97
Rot. Bonds5

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

2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine (PubChem CID 134111402) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine.

Molecular Properties

Compound Name2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
PubChem CID134111402
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine
SMILESCC(C)(CN)C/N=C(/Nc1ccccc1)NC1CCCC1
InChIInChI=1S/C17H28N4/c1-17(2,12-18)13-19-16(21-15-10-6-7-11-15)20-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,18H2,1-2H3,(H2,19,20,21)
InChIKeyLGATWQFDHONMLE-UHFFFAOYSA-N
XLogP2.97
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.97
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-(3-fluorophenyl)guanidine
CID 134121977
2-(3-amino-2,2-dimethylpropyl)-1-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylguanidine
CID 134099414
1-cyclopentyl-2-(2,2-dimethylpropyl)-3-(4-hydroxyphenyl)guanidine
CID 134121750
1-cyclohexyl-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 3710493
2-(3-amino-2,2-dimethylpropyl)-1-(cyclohexylmethyl)-3-pyridin-3-ylguanidine
CID 134088933
2-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropyl-3-phenylguanidine
CID 134090961
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
N'-(3-amino-2,2-dimethylpropyl)-4-benzyl-N-[4-(2-cyclohexylethoxy)phenyl]piperidine-1-carboximidamide
CID 69003801
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-cycloheptyl-3-phenylthiourea
CID 4085620
2-(2,2-dimethyl-3-phenylpropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979093
N'-(3-amino-2,2-dimethylpropyl)-2-methyl-N-pyridin-3-ylpiperidine-1-carboximidamide
CID 134088937

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine?
The IUPAC name of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine (CID 134111402) is 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine.
What is the SMILES notation for 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine?
The canonical SMILES for 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine is CC(C)(CN)C/N=C(/Nc1ccccc1)NC1CCCC1.
What is the InChIKey of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine?
The InChIKey is LGATWQFDHONMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-17(2,12-18)13-19-16(21-15-10-6-7-11-15)20-14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,18H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine?
2-(3-amino-2,2-dimethylpropyl)-1-cyclopentyl-3-phenylguanidine has a molecular weight of 288.44 g/mol, XLogP of 2.97, 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-phenylguanidine is sourced from PubChem (CID 134111402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).