2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine

C15H23N3O — CID 55063632

IUPAC2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine
SMILESCOc1ccccc1CN(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C15H23N3O/c1-18(15(16)17-13-8-4-5-9-13)11-12-7-3-6-10-14(12)19-2/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3,(H2,16,17)
InChIKeyUKPPZRBNHXURMJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.38
Rot. Bonds4

About 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine

2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine (PubChem CID 55063632) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine
PubChem CID55063632
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine
SMILESCOc1ccccc1CN(C)/C(N)=N/C1CCCC1
InChIInChI=1S/C15H23N3O/c1-18(15(16)17-13-8-4-5-9-13)11-12-7-3-6-10-14(12)19-2/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3,(H2,16,17)
InChIKeyUKPPZRBNHXURMJ-UHFFFAOYSA-N
XLogP2.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
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-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511106
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
N-[(2-methoxyphenyl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 61417523
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
(2-methoxyphenyl)methyl cyclopentanecarboxylate
CID 78760103
3-amino-2-cyclohexyl-1-(2-methoxyphenyl)-1-methylguanidine
CID 116514049
4-(cyclopropylcarbamoylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55665974
N-[(2-methoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119266864
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine?
The IUPAC name of 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine (CID 55063632) is 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine?
The canonical SMILES for 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine is COc1ccccc1CN(C)/C(N)=N/C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine?
The InChIKey is UKPPZRBNHXURMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(15(16)17-13-8-4-5-9-13)11-12-7-3-6-10-14(12)19-2/h3,6-7,10,13H,4-5,8-9,11H2,1-2H3,(H2,16,17).
What are the key properties of 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine?
2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine has a molecular weight of 261.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(2-methoxyphenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 55063632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).